2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide

C15H15ClN2OS — CID 115540166

IUPAC2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
SMILESCCSc1ccccc1NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C15H15ClN2OS/c1-2-20-13-9-4-3-8-12(13)18-15(19)10-6-5-7-11(16)14(10)17/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeySDQMCAHZXODCDG-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.29
Rot. Bonds4

About 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide

2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide (PubChem CID 115540166) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
PubChem CID115540166
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
SMILESCCSc1ccccc1NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C15H15ClN2OS/c1-2-20-13-9-4-3-8-12(13)18-15(19)10-6-5-7-11(16)14(10)17/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeySDQMCAHZXODCDG-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.29
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

2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
CID 115540029
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide (CID 115540166) is 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide is CCSc1ccccc1NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide?
The InChIKey is SDQMCAHZXODCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-2-20-13-9-4-3-8-12(13)18-15(19)10-6-5-7-11(16)14(10)17/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide?
2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide has a molecular weight of 306.82 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide is sourced from PubChem (CID 115540166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).