2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide

C15H15ClN2OS — CID 43736377

IUPAC2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
SMILESCSc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2OS/c1-20-12-5-2-10(3-6-12)9-18-11-4-7-13(15(17)19)14(16)8-11/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyZOTWCTNSCBKKTO-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.77
Rot. Bonds5

About 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide

2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide (PubChem CID 43736377) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
PubChem CID43736377
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
SMILESCSc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2OS/c1-20-12-5-2-10(3-6-12)9-18-11-4-7-13(15(17)19)14(16)8-11/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyZOTWCTNSCBKKTO-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide
CID 115523744
4-chloro-3-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43721327
2-chloro-4-[(4-chlorophenyl)methylamino]benzenecarbothioamide
CID 62947444
4-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzamide
CID 43736492
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzonitrile
CID 43347931
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
3-chloro-4-ethoxy-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 60944153
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874084
2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 62346089
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide?
The IUPAC name of 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide (CID 43736377) is 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide?
The canonical SMILES for 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide is CSc1ccc(CNc2ccc(C(N)=O)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide?
The InChIKey is ZOTWCTNSCBKKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-20-12-5-2-10(3-6-12)9-18-11-4-7-13(15(17)19)14(16)8-11/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide?
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide has a molecular weight of 306.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide is sourced from PubChem (CID 43736377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).