4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C22H27FN2O2 — CID 78853816

IUPAC4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1C
InChIInChI=1S/C22H27FN2O2/c1-14-20(16(3)26)15(2)24-21(14)22(27)25(19-6-4-5-7-19)13-12-17-8-10-18(23)11-9-17/h8-11,19,24H,4-7,12-13H2,1-3H3
InChIKeyLZMUNSJTWFYAHS-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.60
Rot. Bonds6

About 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 78853816) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID78853816
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1C
InChIInChI=1S/C22H27FN2O2/c1-14-20(16(3)26)15(2)24-21(14)22(27)25(19-6-4-5-7-19)13-12-17-8-10-18(23)11-9-17/h8-11,19,24H,4-7,12-13H2,1-3H3
InChIKeyLZMUNSJTWFYAHS-UHFFFAOYSA-N
XLogP4.60
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 32589793
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 78853833
N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853831
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
CID 78853764
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 78853803
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 78853629
methyl 5-[2-(4-fluorophenyl)ethyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 86832502
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78853634
N-cyclopentyl-2-(cyclopropylmethylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 119821530
2-amino-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]pentanamide;hydrochloride
CID 119345192
5-bromo-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]furan-3-carboxamide
CID 78853656

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 78853816) is 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1C.
What is the InChIKey of 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is LZMUNSJTWFYAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-14-20(16(3)26)15(2)24-21(14)22(27)25(19-6-4-5-7-19)13-12-17-8-10-18(23)11-9-17/h8-11,19,24H,4-7,12-13H2,1-3H3.
What are the key properties of 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78853816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).