4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide

C24H29ClN4O3 — CID 55917777

IUPAC4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C24H29ClN4O3/c1-2-13-26-23(31)19-12-11-16(25)14-21(19)27-15-22(30)29-20-10-6-5-9-18(20)24(32)28-17-7-3-4-8-17/h5-6,9-12,14,17,27H,2-4,7-8,13,15H2,1H3,(H,26,31)(H,28,32)(H,29,30)
InChIKeyKGNBJIWIKOVSLU-UHFFFAOYSA-N
MW456.97 g/mol
LogP4.20
Rot. Bonds9

About 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide

4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 55917777) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID55917777
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C24H29ClN4O3/c1-2-13-26-23(31)19-12-11-16(25)14-21(19)27-15-22(30)29-20-10-6-5-9-18(20)24(32)28-17-7-3-4-8-17/h5-6,9-12,14,17,27H,2-4,7-8,13,15H2,1H3,(H,26,31)(H,28,32)(H,29,30)
InChIKeyKGNBJIWIKOVSLU-UHFFFAOYSA-N
XLogP4.20
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52704581
N-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 32906957
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
CID 87026899
N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 55729289
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide
CID 100606317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide (CID 55917777) is 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is KGNBJIWIKOVSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-2-13-26-23(31)19-12-11-16(25)14-21(19)27-15-22(30)29-20-10-6-5-9-18(20)24(32)28-17-7-3-4-8-17/h5-6,9-12,14,17,27H,2-4,7-8,13,15H2,1H3,(H,26,31)(H,28,32)(H,29,30).
What are the key properties of 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 456.97 g/mol, XLogP of 4.20, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 55917777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).