4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide

C12H17ClN2OS — CID 115739020

IUPAC4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
SMILESCSC(C)CCNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-8(17-2)5-6-15-12(16)10-4-3-9(14)7-11(10)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyGEZKHULPHAALIJ-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.79
Rot. Bonds5

About 4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide

4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide (PubChem CID 115739020) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
PubChem CID115739020
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
SMILESCSC(C)CCNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-8(17-2)5-6-15-12(16)10-4-3-9(14)7-11(10)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyGEZKHULPHAALIJ-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.79
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-(3-hydroxypropyl)benzamide
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4-amino-2-chloro-N-ethylbenzamide;hydrochloride
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N-(3-aminobutyl)-2-chloro-4-iodobenzamide
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4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
2,4-diamino-N-(3-methylbutyl)benzamide
CID 61092536
4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide
CID 156874708
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
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4-amino-2-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61237813

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide (CID 115739020) is 4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide is CSC(C)CCNC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide?
The InChIKey is GEZKHULPHAALIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-8(17-2)5-6-15-12(16)10-4-3-9(14)7-11(10)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide?
4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide has a molecular weight of 272.80 g/mol, XLogP of 2.79, 5 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-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 115739020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).