2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide

C10H12ClN3O2 — CID 43553064

IUPAC2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
SMILESNC(=O)CCNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H12ClN3O2/c11-6-1-2-7(8(12)5-6)10(16)14-4-3-9(13)15/h1-2,5H,3-4,12H2,(H2,13,15)(H,14,16)
InChIKeyCODBWMOWNRMWOE-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.53
Rot. Bonds4

About 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide

2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide (PubChem CID 43553064) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
PubChem CID43553064
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
SMILESNC(=O)CCNC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H12ClN3O2/c11-6-1-2-7(8(12)5-6)10(16)14-4-3-9(13)15/h1-2,5H,3-4,12H2,(H2,13,15)(H,14,16)
InChIKeyCODBWMOWNRMWOE-UHFFFAOYSA-N
XLogP0.53
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide 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-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
CID 64927021
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide?
The IUPAC name of 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide (CID 43553064) is 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide?
The canonical SMILES for 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide is NC(=O)CCNC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide?
The InChIKey is CODBWMOWNRMWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-6-1-2-7(8(12)5-6)10(16)14-4-3-9(13)15/h1-2,5H,3-4,12H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide?
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide has a molecular weight of 241.68 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide is sourced from PubChem (CID 43553064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).