methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

C19H23FN2O4 — CID 87016909

IUPACmethyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)NCC(O)c2ccc(F)cc2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C19H23FN2O4/c1-4-5-14-16(19(25)26-3)11(2)22-17(14)18(24)21-10-15(23)12-6-8-13(20)9-7-12/h6-9,15,22-23H,4-5,10H2,1-3H3,(H,21,24)
InChIKeySCVWAXULLOJHAW-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.66
Rot. Bonds7

About methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (PubChem CID 87016909) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
PubChem CID87016909
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Namemethyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)NCC(O)c2ccc(F)cc2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C19H23FN2O4/c1-4-5-14-16(19(25)26-3)11(2)22-17(14)18(24)21-10-15(23)12-6-8-13(20)9-7-12/h6-9,15,22-23H,4-5,10H2,1-3H3,(H,21,24)
InChIKeySCVWAXULLOJHAW-UHFFFAOYSA-N
XLogP2.66
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 100739343
methyl 5-(4-hydroxyhexylcarbamoyl)-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 71863554
methyl 5-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 75897233
4-acetyl-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55949481
4-acetyl-N-(2-amino-2-phenylethyl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 119528709
methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 60512388
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217
4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 120829396
methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 55838885
methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 55845047
methyl 2-methyl-5-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]-4-propyl-1H-pyrrole-3-carboxylate
CID 55971991

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (CID 87016909) is methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is CCCc1c(C(=O)NCC(O)c2ccc(F)cc2)[nH]c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The InChIKey is SCVWAXULLOJHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-4-5-14-16(19(25)26-3)11(2)22-17(14)18(24)21-10-15(23)12-6-8-13(20)9-7-12/h6-9,15,22-23H,4-5,10H2,1-3H3,(H,21,24).
What are the key properties of methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate has a molecular weight of 362.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 87016909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).