3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid

C56H47Cl3F9N9O6 — CID 158127971

IUPAC3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(-c2ccc(Cl)cc2F)c1C.Cc1cc(CN(C)C(=O)c2[nH]c(C(F)(F)F)c(C)c2-c2ccc(Cl)cc2F)no1.Cc1cc(CN(C)C(=O)c2c(-c3ccc(Cl)cc3F)c(C)c(C(F)(F)F)n2Cc2ncccn2)no1
InChIInChI=1S/C24H20ClF4N5O2.C19H16ClF4N3O2.C13H11ClFNO2/c1-13-9-16(32-36-13)11-33(3)23(35)21-20(17-6-5-15(25)10-18(17)26)14(2)22(24(27,28)29)34(21)12-19-30-7-4-8-31-19;1-9-6-12(26-29-9)8-27(3)18(28)16-15(10(2)17(25-16)19(22,23)24)13-5-4-11(20)7-14(13)21;1-6-7(2)16-12(13(17)18)11(6)9-4-3-8(14)5-10(9)15/h4-10H,11-12H2,1-3H3;4-7,25H,8H2,1-3H3;3-5,16H,1-2H3,(H,17,18)
InChIKeyFSKOZXWKAQBCTM-UHFFFAOYSA-N
MW1219.39 g/mol
LogP14.84
Rot. Bonds12

About 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid

3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 158127971) has the molecular formula C56H47Cl3F9N9O6 and a molecular weight of 1219.39 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
PubChem CID158127971
Molecular FormulaC56H47Cl3F9N9O6
Molecular Weight1219.39 g/mol
Exact Mass1217.26
IUPAC Name3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(-c2ccc(Cl)cc2F)c1C.Cc1cc(CN(C)C(=O)c2[nH]c(C(F)(F)F)c(C)c2-c2ccc(Cl)cc2F)no1.Cc1cc(CN(C)C(=O)c2c(-c3ccc(Cl)cc3F)c(C)c(C(F)(F)F)n2Cc2ncccn2)no1
InChIInChI=1S/C24H20ClF4N5O2.C19H16ClF4N3O2.C13H11ClFNO2/c1-13-9-16(32-36-13)11-33(3)23(35)21-20(17-6-5-15(25)10-18(17)26)14(2)22(24(27,28)29)34(21)12-19-30-7-4-8-31-19;1-9-6-12(26-29-9)8-27(3)18(28)16-15(10(2)17(25-16)19(22,23)24)13-5-4-11(20)7-14(13)21;1-6-7(2)16-12(13(17)18)11(6)9-4-3-8(14)5-10(9)15/h4-10H,11-12H2,1-3H3;4-7,25H,8H2,1-3H3;3-5,16H,1-2H3,(H,17,18)
InChIKeyFSKOZXWKAQBCTM-UHFFFAOYSA-N
XLogP14.84
TPSA192.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.39
LogP ≤ 514.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid with MolForge

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Related Compounds

3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid;3-(4-chloro-2-fluorophenyl)-N,4,5-trimethyl-N-propan-2-yl-1-(pyrimidin-2-ylmethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4,5-trimethyl-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 158426294
3-(4-chloro-2-fluorophenyl)-N-cyclopropyl-N,4,5-trimethyl-1-(pyrimidin-2-ylmethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N-cyclopropyl-N,4,5-trimethyl-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 160025350
[3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrol-2-yl]-morpholin-4-ylmethanone;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid;[3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
CID 161699969

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid (CID 158127971) is 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(-c2ccc(Cl)cc2F)c1C.Cc1cc(CN(C)C(=O)c2[nH]c(C(F)(F)F)c(C)c2-c2ccc(Cl)cc2F)no1.Cc1cc(CN(C)C(=O)c2c(-c3ccc(Cl)cc3F)c(C)c(C(F)(F)F)n2Cc2ncccn2)no1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is FSKOZXWKAQBCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF4N5O2.C19H16ClF4N3O2.C13H11ClFNO2/c1-13-9-16(32-36-13)11-33(3)23(35)21-20(17-6-5-15(25)10-18(17)26)14(2)22(24(27,28)29)34(21)12-19-30-7-4-8-31-19;1-9-6-12(26-29-9)8-27(3)18(28)16-15(10(2)17(25-16)19(22,23)24)13-5-4-11(20)7-14(13)21;1-6-7(2)16-12(13(17)18)11(6)9-4-3-8(14)5-10(9)15/h4-10H,11-12H2,1-3H3;4-7,25H,8H2,1-3H3;3-5,16H,1-2H3,(H,17,18).
What are the key properties of 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid?
3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 1219.39 g/mol, XLogP of 14.84, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide;3-(4-chloro-2-fluorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 158127971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).