3-amino-4-chloro-N-(4-propylphenyl)benzamide

C16H17ClN2O — CID 43378583

IUPAC3-amino-4-chloro-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-3-11-4-7-13(8-5-11)19-16(20)12-6-9-14(17)15(18)10-12/h4-10H,2-3,18H2,1H3,(H,19,20)
InChIKeyHDOVBYSCHDNPLR-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.13
Rot. Bonds4

About 3-amino-4-chloro-N-(4-propylphenyl)benzamide

3-amino-4-chloro-N-(4-propylphenyl)benzamide (PubChem CID 43378583) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(4-propylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(4-propylphenyl)benzamide
PubChem CID43378583
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-amino-4-chloro-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-3-11-4-7-13(8-5-11)19-16(20)12-6-9-14(17)15(18)10-12/h4-10H,2-3,18H2,1H3,(H,19,20)
InChIKeyHDOVBYSCHDNPLR-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-4-chloro-N-(4-propylphenyl)benzamide 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-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
3-bromo-4-methyl-N-(4-propylphenyl)benzamide
CID 81472098
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825
2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide
CID 114922194
N-(4-butylphenyl)-4-chloro-3-nitrobenzamide
CID 3453151
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 43328663
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(4-propylphenyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(4-propylphenyl)benzamide (CID 43378583) is 3-amino-4-chloro-N-(4-propylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(4-propylphenyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(4-propylphenyl)benzamide is CCCc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1.
What is the InChIKey of 3-amino-4-chloro-N-(4-propylphenyl)benzamide?
The InChIKey is HDOVBYSCHDNPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-3-11-4-7-13(8-5-11)19-16(20)12-6-9-14(17)15(18)10-12/h4-10H,2-3,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-chloro-N-(4-propylphenyl)benzamide?
3-amino-4-chloro-N-(4-propylphenyl)benzamide has a molecular weight of 288.78 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(4-propylphenyl)benzamide is sourced from PubChem (CID 43378583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).