1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide

C19H15ClF3N3O2 — CID 3702021

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C19H15ClF3N3O2/c1-28-14-6-4-12(5-7-14)10-25-18(27)16-3-2-8-26(16)17-15(20)9-13(11-24-17)19(21,22)23/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeySKNKMVKHVKTQBD-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.48
Rot. Bonds5

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 3702021) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
PubChem CID3702021
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C19H15ClF3N3O2/c1-28-14-6-4-12(5-7-14)10-25-18(27)16-3-2-8-26(16)17-15(20)9-13(11-24-17)19(21,22)23/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeySKNKMVKHVKTQBD-UHFFFAOYSA-N
XLogP4.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
CID 69084581
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrole-2-carboxamide
CID 87686496
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 87687354
2-bromo-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanone
CID 87686993
N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide
CID 69083739
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69086236
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(2,4,6-trichlorophenyl)pyrrole-2-carbohydrazide
CID 87686488
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 143866892
1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide
CID 69083143
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide
CID 69086376
methyl 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-3-(4-methoxyanilino)prop-2-enoate
CID 4586234

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide (CID 3702021) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide is COc1ccc(CNC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is SKNKMVKHVKTQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-28-14-6-4-12(5-7-14)10-25-18(27)16-3-2-8-26(16)17-15(20)9-13(11-24-17)19(21,22)23/h2-9,11H,10H2,1H3,(H,25,27).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 409.80 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 3702021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).