4-amino-N-(5-chloro-2-propoxyphenyl)butanamide

C13H19ClN2O2 — CID 54862408

IUPAC4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)CCCN
InChIInChI=1S/C13H19ClN2O2/c1-2-8-18-12-6-5-10(14)9-11(12)16-13(17)4-3-7-15/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,17)
InChIKeyCCOVGLINGBDINI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.81
Rot. Bonds7

About 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide

4-amino-N-(5-chloro-2-propoxyphenyl)butanamide (PubChem CID 54862408) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
PubChem CID54862408
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)CCCN
InChIInChI=1S/C13H19ClN2O2/c1-2-8-18-12-6-5-10(14)9-11(12)16-13(17)4-3-7-15/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,17)
InChIKeyCCOVGLINGBDINI-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(5-chloro-2-propoxyphenyl)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

6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
CID 79199775
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185
2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide
CID 115431978
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
2-(1-aminocyclobutyl)-N-(5-chloro-2-propoxyphenyl)acetamide
CID 79854161

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide?
The IUPAC name of 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide (CID 54862408) is 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide is CCCOc1ccc(Cl)cc1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide?
The InChIKey is CCOVGLINGBDINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-8-18-12-6-5-10(14)9-11(12)16-13(17)4-3-7-15/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide?
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide has a molecular weight of 270.76 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-propoxyphenyl)butanamide is sourced from PubChem (CID 54862408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).