N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide

C16H17ClN2O2 — CID 54852878

IUPACN-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-21-15-10-12(18)7-8-14(15)19-16(20)9-6-11-4-2-3-5-13(11)17/h2-5,7-8,10H,6,9,18H2,1H3,(H,19,20)
InChIKeyGDBIINFISFDPSJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.50
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide

N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide (PubChem CID 54852878) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide
PubChem CID54852878
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-21-15-10-12(18)7-8-14(15)19-16(20)9-6-11-4-2-3-5-13(11)17/h2-5,7-8,10H,6,9,18H2,1H3,(H,19,20)
InChIKeyGDBIINFISFDPSJ-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide 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

3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446
N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 38911210
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17179049
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide (CID 54852878) is N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide is COc1cc(N)ccc1NC(=O)CCc1ccccc1Cl.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide?
The InChIKey is GDBIINFISFDPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-15-10-12(18)7-8-14(15)19-16(20)9-6-11-4-2-3-5-13(11)17/h2-5,7-8,10H,6,9,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide?
N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 54852878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).