2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide

C11H14ClN3O2 — CID 119284267

IUPAC2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1NC(=O)CCN
InChIInChI=1S/C11H14ClN3O2/c1-14-11(17)8-6-7(12)2-3-9(8)15-10(16)4-5-13/h2-3,6H,4-5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyYQBHJACEADRXOR-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.99
Rot. Bonds4

About 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide

2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide (PubChem CID 119284267) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
PubChem CID119284267
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1NC(=O)CCN
InChIInChI=1S/C11H14ClN3O2/c1-14-11(17)8-6-7(12)2-3-9(8)15-10(16)4-5-13/h2-3,6H,4-5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyYQBHJACEADRXOR-UHFFFAOYSA-N
XLogP0.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3-aminopropanoylamino)-5-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

2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
CID 120560026
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808
5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 51090118
5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
CID 119713991
2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 110606621
2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
2-amino-5-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574314
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide
CID 119856759

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide?
The IUPAC name of 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide (CID 119284267) is 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide.
What is the SMILES notation for 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide?
The canonical SMILES for 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide is CNC(=O)c1cc(Cl)ccc1NC(=O)CCN.
What is the InChIKey of 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide?
The InChIKey is YQBHJACEADRXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-14-11(17)8-6-7(12)2-3-9(8)15-10(16)4-5-13/h2-3,6H,4-5,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide?
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide has a molecular weight of 255.70 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide is sourced from PubChem (CID 119284267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).