2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide

C24H25F2N3O — CID 134479235

IUPAC2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2cccc2Cc2c(F)cccc2F)cc1NC1CCCCC1
InChIInChI=1S/C24H25F2N3O/c25-21-9-4-10-22(26)20(21)14-17-8-5-13-29(17)18-11-12-19(24(27)30)23(15-18)28-16-6-2-1-3-7-16/h4-5,8-13,15-16,28H,1-3,6-7,14H2,(H2,27,30)
InChIKeyOVPXIJIXDRRSFK-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.19
Rot. Bonds6

About 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide

2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide (PubChem CID 134479235) has the molecular formula C24H25F2N3O and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide
PubChem CID134479235
Molecular FormulaC24H25F2N3O
Molecular Weight409.48 g/mol
Exact Mass409.20
IUPAC Name2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2cccc2Cc2c(F)cccc2F)cc1NC1CCCCC1
InChIInChI=1S/C24H25F2N3O/c25-21-9-4-10-22(26)20(21)14-17-8-5-13-29(17)18-11-12-19(24(27)30)23(15-18)28-16-6-2-1-3-7-16/h4-5,8-13,15-16,28H,1-3,6-7,14H2,(H2,27,30)
InChIKeyOVPXIJIXDRRSFK-UHFFFAOYSA-N
XLogP5.19
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline
CID 142339914
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CID 142339925
4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide
CID 142339937
5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline
CID 142339958
4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 134479133
2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide
CID 123990300
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
2-(cyclohexylamino)-4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-3a,5,7,7a-tetrahydroindazol-1-yl]benzamide
CID 123550595
2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide
CID 174552646
2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide
CID 142339916
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide
CID 17417314

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide?
The IUPAC name of 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide (CID 134479235) is 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide.
What is the SMILES notation for 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide?
The canonical SMILES for 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide is NC(=O)c1ccc(-n2cccc2Cc2c(F)cccc2F)cc1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide?
The InChIKey is OVPXIJIXDRRSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O/c25-21-9-4-10-22(26)20(21)14-17-8-5-13-29(17)18-11-12-19(24(27)30)23(15-18)28-16-6-2-1-3-7-16/h4-5,8-13,15-16,28H,1-3,6-7,14H2,(H2,27,30).
What are the key properties of 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide?
2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide has a molecular weight of 409.48 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide is sourced from PubChem (CID 134479235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).