4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide

C25H27FN2O2 — CID 142279830

IUPAC4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1c(F)cccc1-c1c[nH]cc1C(=O)NCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H27FN2O2/c1-30-24-20(8-5-9-23(24)26)21-15-27-16-22(21)25(29)28-14-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-9,15-17,19,27H,10-14H2,1H3,(H,28,29)
InChIKeyGFUCGOFTYPGLBC-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.53
Rot. Bonds6

About 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide

4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142279830) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID142279830
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1c(F)cccc1-c1c[nH]cc1C(=O)NCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H27FN2O2/c1-30-24-20(8-5-9-23(24)26)21-15-27-16-22(21)25(29)28-14-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-9,15-17,19,27H,10-14H2,1H3,(H,28,29)
InChIKeyGFUCGOFTYPGLBC-UHFFFAOYSA-N
XLogP5.53
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,5-difluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279803
4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279626
N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide
CID 142280096
4-(3-cyanocyclohexa-2,4-dien-1-yl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 163707422
N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 142279898
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
2-methyl-N-[(4-phenylcyclohexyl)methyl]-4-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 142279659
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide (CID 142279830) is 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide is COc1c(F)cccc1-c1c[nH]cc1C(=O)NCC1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is GFUCGOFTYPGLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-30-24-20(8-5-9-23(24)26)21-15-27-16-22(21)25(29)28-14-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-9,15-17,19,27H,10-14H2,1H3,(H,28,29).
What are the key properties of 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide?
4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142279830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).