4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide

C21H21ClN2O2 — CID 58707854

IUPAC4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CN(C1CCCCC1)C2=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c22-16-8-6-14(7-9-16)20(25)23-17-10-11-19-15(12-17)13-24(21(19)26)18-4-2-1-3-5-18/h6-12,18H,1-5,13H2,(H,23,25)
InChIKeyHCPKQXGQYUKZNI-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.88
Rot. Bonds3

About 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide

4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide (PubChem CID 58707854) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide
PubChem CID58707854
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CN(C1CCCCC1)C2=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c22-16-8-6-14(7-9-16)20(25)23-17-10-11-19-15(12-17)13-24(21(19)26)18-4-2-1-3-5-18/h6-12,18H,1-5,13H2,(H,23,25)
InChIKeyHCPKQXGQYUKZNI-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-[4-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-1H-isoindol-2-yl]cyclohexane-1-carboxylic acid
CID 67306391
4-tert-butyl-N-[4-(2-cyclopentyl-3-oxo-1H-isoindol-5-yl)phenyl]benzamide
CID 141304329
N-(4-chlorophenyl)-5-methyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91809838
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
N-(4-chlorophenyl)-5-ethyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 87054097
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064480
4-chloro-N-[(2R)-2-methyl-3-oxo-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-5H-1,4-benzoxazepin-7-yl]benzamide
CID 93120863
4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide
CID 53135499
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide;hydrochloride
CID 171329186
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-6-iodo-1-oxo-3H-isoindol-5-yl]benzamide
CID 170628981
[4-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] propanoate
CID 2221764

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide (CID 58707854) is 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide is O=C(Nc1ccc2c(c1)CN(C1CCCCC1)C2=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide?
The InChIKey is HCPKQXGQYUKZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-16-8-6-14(7-9-16)20(25)23-17-10-11-19-15(12-17)13-24(21(19)26)18-4-2-1-3-5-18/h6-12,18H,1-5,13H2,(H,23,25).
What are the key properties of 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide?
4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide has a molecular weight of 368.86 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide is sourced from PubChem (CID 58707854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).