2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide

C13H18ClN3O2 — CID 120560026

IUPAC2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1NC(=O)CCC(C)N
InChIInChI=1S/C13H18ClN3O2/c1-8(15)3-6-12(18)17-11-5-4-9(14)7-10(11)13(19)16-2/h4-5,7-8H,3,6,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZCQGQIPCTSEIQO-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.77
Rot. Bonds5

About 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide

2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide (PubChem CID 120560026) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide.

Molecular Properties

Compound Name2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
PubChem CID120560026
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1NC(=O)CCC(C)N
InChIInChI=1S/C13H18ClN3O2/c1-8(15)3-6-12(18)17-11-5-4-9(14)7-10(11)13(19)16-2/h4-5,7-8H,3,6,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZCQGQIPCTSEIQO-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(4-aminopentanoylamino)-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-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
CID 119713991
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 51090118
4-amino-1-(2,5-dichlorophenyl)pentan-1-one
CID 116571674
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide?
The IUPAC name of 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide (CID 120560026) is 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide.
What is the SMILES notation for 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide?
The canonical SMILES for 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide is CNC(=O)c1cc(Cl)ccc1NC(=O)CCC(C)N.
What is the InChIKey of 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide?
The InChIKey is ZCQGQIPCTSEIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(15)3-6-12(18)17-11-5-4-9(14)7-10(11)13(19)16-2/h4-5,7-8H,3,6,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide?
2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide is sourced from PubChem (CID 120560026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).