4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide

C23H24ClN3O2 — CID 142339937

IUPAC4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide
SMILESNC(=O)c1ccc(-n2cccc2Oc2ccccc2Cl)cc1NC1CCCCC1
InChIInChI=1S/C23H24ClN3O2/c24-19-9-4-5-10-21(19)29-22-11-6-14-27(22)17-12-13-18(23(25)28)20(15-17)26-16-7-2-1-3-8-16/h4-6,9-16,26H,1-3,7-8H2,(H2,25,28)
InChIKeyXDFLTABEWFISAS-UHFFFAOYSA-N
MW409.92 g/mol
LogP5.77
Rot. Bonds6

About 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide

4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide (PubChem CID 142339937) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide.

Molecular Properties

Compound Name4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide
PubChem CID142339937
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide
SMILESNC(=O)c1ccc(-n2cccc2Oc2ccccc2Cl)cc1NC1CCCCC1
InChIInChI=1S/C23H24ClN3O2/c24-19-9-4-5-10-21(19)29-22-11-6-14-27(22)17-12-13-18(23(25)28)20(15-17)26-16-7-2-1-3-8-16/h4-6,9-16,26H,1-3,7-8H2,(H2,25,28)
InChIKeyXDFLTABEWFISAS-UHFFFAOYSA-N
XLogP5.77
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.92
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide
CID 142339925
2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide
CID 134479235
2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide
CID 142339916
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
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline
CID 142339958
4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid
CID 63082756
2-(cyclopropylamino)benzamide
CID 119089293
N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline
CID 142339914
N-[2-(2-chlorophenoxy)phenyl]cyclohexanecarboxamide
CID 18279329
2-(cyclopentylamino)-4-(3-phenylpyrrolo[2,3-b]pyrazin-5-yl)benzoic acid
CID 166128347

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide?
The IUPAC name of 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide (CID 142339937) is 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide.
What is the SMILES notation for 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide?
The canonical SMILES for 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide is NC(=O)c1ccc(-n2cccc2Oc2ccccc2Cl)cc1NC1CCCCC1.
What is the InChIKey of 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide?
The InChIKey is XDFLTABEWFISAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-19-9-4-5-10-21(19)29-22-11-6-14-27(22)17-12-13-18(23(25)28)20(15-17)26-16-7-2-1-3-8-16/h4-6,9-16,26H,1-3,7-8H2,(H2,25,28).
What are the key properties of 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide?
4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide has a molecular weight of 409.92 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide is sourced from PubChem (CID 142339937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).