3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide

C15H15ClN2OS — CID 103288323

IUPAC3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSCc2ccccc2Cl)c(N)c1
InChIInChI=1S/C15H15ClN2OS/c16-13-4-2-1-3-11(13)8-20-9-12-6-5-10(15(18)19)7-14(12)17/h1-7H,8-9,17H2,(H2,18,19)
InChIKeyLMQRJLHCFXRXNA-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.45
Rot. Bonds5

About 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide

3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide (PubChem CID 103288323) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide
PubChem CID103288323
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSCc2ccccc2Cl)c(N)c1
InChIInChI=1S/C15H15ClN2OS/c16-13-4-2-1-3-11(13)8-20-9-12-6-5-10(15(18)19)7-14(12)17/h1-7H,8-9,17H2,(H2,18,19)
InChIKeyLMQRJLHCFXRXNA-UHFFFAOYSA-N
XLogP3.45
TPSA69.11 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 ≤ 53.45
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-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
3-bromo-4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
CID 103290684
4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
CID 174688363
3-amino-4-ethylbenzamide
CID 19977641
4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
CID 103290660
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
3-amino-4-(butan-2-ylsulfanylmethyl)benzamide
CID 43377238
3-amino-4-(3-hydroxybutan-2-ylsulfanylmethyl)benzamide
CID 107770545
4-[(2-chlorophenyl)sulfanylmethyl]-3-nitrobenzamide
CID 27312029
3-amino-4-(2-chlorophenoxy)benzamide
CID 43382705
1-[3-[(2-chlorophenyl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone
CID 103600943
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide?
The IUPAC name of 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide (CID 103288323) is 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide.
What is the SMILES notation for 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide?
The canonical SMILES for 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide is NC(=O)c1ccc(CSCc2ccccc2Cl)c(N)c1.
What is the InChIKey of 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide?
The InChIKey is LMQRJLHCFXRXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-4-2-1-3-11(13)8-20-9-12-6-5-10(15(18)19)7-14(12)17/h1-7H,8-9,17H2,(H2,18,19).
What are the key properties of 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide?
3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide has a molecular weight of 306.82 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide is sourced from PubChem (CID 103288323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).