2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide

C14H18ClN3O2 — CID 17413792

IUPAC2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H18ClN3O2/c15-10-5-7-11(8-6-10)16-9-13(19)18-14(20)17-12-3-1-2-4-12/h5-8,12,16H,1-4,9H2,(H2,17,18,19,20)
InChIKeyLCWKLXLRGKSSJZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.52
Rot. Bonds4

About 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide

2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 17413792) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide
PubChem CID17413792
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H18ClN3O2/c15-10-5-7-11(8-6-10)16-9-13(19)18-14(20)17-12-3-1-2-4-12/h5-8,12,16H,1-4,9H2,(H2,17,18,19,20)
InChIKeyLCWKLXLRGKSSJZ-UHFFFAOYSA-N
XLogP2.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
CID 18096476
N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 78795443
2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide
CID 108992910
butyl 4-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzoate
CID 26507517
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520948
2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9040584
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 9335295
2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43250989

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide (CID 17413792) is 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide is O=C(CNc1ccc(Cl)cc1)NC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is LCWKLXLRGKSSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-5-7-11(8-6-10)16-9-13(19)18-14(20)17-12-3-1-2-4-12/h5-8,12,16H,1-4,9H2,(H2,17,18,19,20).
What are the key properties of 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide?
2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 295.77 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 17413792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).