4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide

C12H16ClN3O2 — CID 119299938

IUPAC4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCCN)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-15-12(18)9-5-4-8(7-10(9)13)16-11(17)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3,(H,15,18)(H,16,17)
InChIKeySAVYEEGMVRNREJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.38
Rot. Bonds5

About 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide

4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide (PubChem CID 119299938) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
PubChem CID119299938
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCCN)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-15-12(18)9-5-4-8(7-10(9)13)16-11(17)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3,(H,15,18)(H,16,17)
InChIKeySAVYEEGMVRNREJ-UHFFFAOYSA-N
XLogP1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide 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

4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
4-(4-aminobutanoylamino)-2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 172548923
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide
CID 79198792
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
CID 119322335
2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 47325828
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
CID 60928255
5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide?
The IUPAC name of 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide (CID 119299938) is 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide.
What is the SMILES notation for 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide?
The canonical SMILES for 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CCCN)cc1Cl.
What is the InChIKey of 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide?
The InChIKey is SAVYEEGMVRNREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-15-12(18)9-5-4-8(7-10(9)13)16-11(17)3-2-6-14/h4-5,7H,2-3,6,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide?
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide is sourced from PubChem (CID 119299938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).