3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide

C13H13ClN2OS — CID 62055195

IUPAC3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)c(N)c2)s1
InChIInChI=1S/C13H13ClN2OS/c1-8-2-4-10(18-8)7-16-13(17)9-3-5-11(14)12(15)6-9/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyICHFMPRRWIDABT-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.22
Rot. Bonds3

About 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide

3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide (PubChem CID 62055195) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
PubChem CID62055195
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)c(N)c2)s1
InChIInChI=1S/C13H13ClN2OS/c1-8-2-4-10(18-8)7-16-13(17)9-3-5-11(14)12(15)6-9/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyICHFMPRRWIDABT-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]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

4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 16790226
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47450227
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
2-[[(3-amino-4-chlorobenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629845
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
CID 113228296
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
CID 114038484
3-amino-5-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62057200

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide (CID 62055195) is 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Cl)c(N)c2)s1.
What is the InChIKey of 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is ICHFMPRRWIDABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-8-2-4-10(18-8)7-16-13(17)9-3-5-11(14)12(15)6-9/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 280.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 62055195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).