N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide

C14H17Cl2N3O2 — CID 18096476

IUPACN-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-6-5-10(7-12(11)16)17-8-13(20)19-14(21)18-9-3-1-2-4-9/h5-7,9,17H,1-4,8H2,(H2,18,19,20,21)
InChIKeyHXHVQCQQBVDJHT-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.17
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide

N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide (PubChem CID 18096476) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
PubChem CID18096476
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-6-5-10(7-12(11)16)17-8-13(20)19-14(21)18-9-3-1-2-4-9/h5-7,9,17H,1-4,8H2,(H2,18,19,20,21)
InChIKeyHXHVQCQQBVDJHT-UHFFFAOYSA-N
XLogP3.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide
CID 17413792
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 78795443
2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
CID 107266016
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46630518
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 40817156
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide
CID 24510584
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide (CID 18096476) is N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide is O=C(CNc1ccc(Cl)c(Cl)c1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide?
The InChIKey is HXHVQCQQBVDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-11-6-5-10(7-12(11)16)17-8-13(20)19-14(21)18-9-3-1-2-4-9/h5-7,9,17H,1-4,8H2,(H2,18,19,20,21).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide?
N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide has a molecular weight of 330.22 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide is sourced from PubChem (CID 18096476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).