N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide

C18H18F2N2O2 — CID 58091066

IUPACN-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
SMILESO=C(CC1CCCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O2/c19-12-6-3-7-13(20)16(12)18(24)22-14-8-9-21-17(14)15(23)10-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2,(H,22,24)
InChIKeyQCKUYNQVWIVJKN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.18
Rot. Bonds5

About N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide

N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide (PubChem CID 58091066) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
PubChem CID58091066
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
SMILESO=C(CC1CCCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O2/c19-12-6-3-7-13(20)16(12)18(24)22-14-8-9-21-17(14)15(23)10-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2,(H,22,24)
InChIKeyQCKUYNQVWIVJKN-UHFFFAOYSA-N
XLogP3.18
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-fluorobenzoyl)-5H-indolizin-4-ium-1-carboxamide
CID 163410081
2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide
CID 58091087
2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide
CID 58091118
N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 58091131
N-(4-tert-butylcyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
CID 58094697
2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide
CID 59156532
N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156534
2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide
CID 59156538
4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
CID 59156543
N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156549
4-[2-[4-[(2,6-difluorobenzoyl)amino]-2H-pyrrol-5-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 68191953
N-[4-[6-amino-3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]-2,6-difluorobenzamide
CID 69675980

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide (CID 58091066) is N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide is O=C(CC1CCCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The InChIKey is QCKUYNQVWIVJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-12-6-3-7-13(20)16(12)18(24)22-14-8-9-21-17(14)15(23)10-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2,(H,22,24).
What are the key properties of N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide has a molecular weight of 332.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 58091066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).