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

C13H13ClN2OS — CID 78984714

IUPAC4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-8-4-5-18-12(8)7-16-13(17)10-3-2-9(15)6-11(10)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyWZAAPRNEFAQMDL-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.22
Rot. Bonds3

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

4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 78984714) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID78984714
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-8-4-5-18-12(8)7-16-13(17)10-3-2-9(15)6-11(10)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyWZAAPRNEFAQMDL-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'}

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Related Compounds

4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 52589331
3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 107872948
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114924109
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 78918299
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
2-chloro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-methylbenzamide
CID 106862551

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 78984714) is 4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CNC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is WZAAPRNEFAQMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-8-4-5-18-12(8)7-16-13(17)10-3-2-9(15)6-11(10)14/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide?
4-amino-2-chloro-N-[(3-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 4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 78984714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).