2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide

C21H21ClN2O2 — CID 4120593

IUPAC2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1ccc(N2C(=O)c3ccccc3C2C(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C21H21ClN2O2/c1-13-10-11-15(12-18(13)22)24-19(20(25)23-14-6-2-3-7-14)16-8-4-5-9-17(16)21(24)26/h4-5,8-12,14,19H,2-3,6-7H2,1H3,(H,23,25)
InChIKeyXKZPEKIZUVODBS-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.41
Rot. Bonds3

About 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide

2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 4120593) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
PubChem CID4120593
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1ccc(N2C(=O)c3ccccc3C2C(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C21H21ClN2O2/c1-13-10-11-15(12-18(13)22)24-19(20(25)23-14-6-2-3-7-14)16-8-4-5-9-17(16)21(24)26/h4-5,8-12,14,19H,2-3,6-7H2,1H3,(H,23,25)
InChIKeyXKZPEKIZUVODBS-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
CID 3238693
N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68771680
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-cyclooctyl-2-[(4-ethoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3585142
N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3585145
ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 57138770
N-cycloheptyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4247773
N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 11840716
1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea
CID 110352303
N-cycloheptyl-2-[2-(N-ethylanilino)ethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 4550253

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide (CID 4120593) is 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide is Cc1ccc(N2C(=O)c3ccccc3C2C(=O)NC2CCCC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is XKZPEKIZUVODBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-13-10-11-15(12-18(13)22)24-19(20(25)23-14-6-2-3-7-14)16-8-4-5-9-17(16)21(24)26/h4-5,8-12,14,19H,2-3,6-7H2,1H3,(H,23,25).
What are the key properties of 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 4120593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).