N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide

C20H22F2N2O2 — CID 59156549

IUPACN-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
SMILESO=C(CCC1CCCCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C20H22F2N2O2/c21-14-7-4-8-15(22)18(14)20(26)24-16-11-12-23-19(16)17(25)10-9-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12H2,(H,24,26)
InChIKeyWRYVDMMJPDCMIN-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.96
Rot. Bonds6

About N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide

N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide (PubChem CID 59156549) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
PubChem CID59156549
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC NameN-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
SMILESO=C(CCC1CCCCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C20H22F2N2O2/c21-14-7-4-8-15(22)18(14)20(26)24-16-11-12-23-19(16)17(25)10-9-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12H2,(H,24,26)
InChIKeyWRYVDMMJPDCMIN-UHFFFAOYSA-N
XLogP3.96
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(4-fluorobenzoyl)-5H-indolizin-4-ium-1-carboxamide
CID 163410081
N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 58091066
ethyl 4-[2-[4-[(2,6-difluorobenzoyl)amino]-2H-pyrrol-5-yl]-2-oxoethyl]cyclohexane-1-carboxylate
CID 58091084
2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide
CID 58091087
2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide
CID 58091103
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide (CID 59156549) is N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide is O=C(CCC1CCCCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The InChIKey is WRYVDMMJPDCMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-14-7-4-8-15(22)18(14)20(26)24-16-11-12-23-19(16)17(25)10-9-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12H2,(H,24,26).
What are the key properties of N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide has a molecular weight of 360.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 59156549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).