4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide

C14H20ClN3O2 — CID 39194061

IUPAC4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)cc1NC(=O)CCCN
InChIInChI=1S/C14H20ClN3O2/c1-9(2)14(20)18-11-6-5-10(15)8-12(11)17-13(19)4-3-7-16/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYIAJSWDVLMTEGA-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.61
Rot. Bonds6

About 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide

4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide (PubChem CID 39194061) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
PubChem CID39194061
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)cc1NC(=O)CCCN
InChIInChI=1S/C14H20ClN3O2/c1-9(2)14(20)18-11-6-5-10(15)8-12(11)17-13(19)4-3-7-16/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYIAJSWDVLMTEGA-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]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

N-(2-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119293073
4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
CID 119310318
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide?
The IUPAC name of 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide (CID 39194061) is 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide is CC(C)C(=O)Nc1ccc(Cl)cc1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide?
The InChIKey is YIAJSWDVLMTEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(2)14(20)18-11-6-5-10(15)8-12(11)17-13(19)4-3-7-16/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide?
4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide has a molecular weight of 297.79 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 39194061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).