N-[(4-chlorophenyl)carbamoyl]butanamide

C11H13ClN2O2 — CID 4102985

IUPACN-[(4-chlorophenyl)carbamoyl]butanamide
SMILESCCCC(=O)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c1-2-3-10(15)14-11(16)13-9-6-4-8(12)5-7-9/h4-7H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyLEQKHOCVXIMYQA-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.79
Rot. Bonds3

About N-[(4-chlorophenyl)carbamoyl]butanamide

N-[(4-chlorophenyl)carbamoyl]butanamide (PubChem CID 4102985) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamoyl]butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamoyl]butanamide
PubChem CID4102985
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-[(4-chlorophenyl)carbamoyl]butanamide
SMILESCCCC(=O)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c1-2-3-10(15)14-11(16)13-9-6-4-8(12)5-7-9/h4-7H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyLEQKHOCVXIMYQA-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)carbamoyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-(octanoylamino)urea
CID 4170220
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dichlorophenyl)acetamide
CID 134096998
3-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]propanamide
CID 43146371
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
CID 112984106
N-[(4-chlorophenyl)carbamothioyl]octanamide
CID 4958861
N-[(4-chlorophenyl)carbamothioyl]heptanamide
CID 54789157
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
CID 1370195
(E)-N-butanoyl-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 16740259

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamoyl]butanamide?
The IUPAC name of N-[(4-chlorophenyl)carbamoyl]butanamide (CID 4102985) is N-[(4-chlorophenyl)carbamoyl]butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamoyl]butanamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamoyl]butanamide is CCCC(=O)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamoyl]butanamide?
The InChIKey is LEQKHOCVXIMYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-2-3-10(15)14-11(16)13-9-6-4-8(12)5-7-9/h4-7H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of N-[(4-chlorophenyl)carbamoyl]butanamide?
N-[(4-chlorophenyl)carbamoyl]butanamide has a molecular weight of 240.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamoyl]butanamide is sourced from PubChem (CID 4102985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).