N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide

C15H13BrClNOS — CID 107022287

IUPACN-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C(S)Cc1ccccc1
InChIInChI=1S/C15H13BrClNOS/c16-11-6-7-13(12(17)9-11)18-15(19)14(20)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,18,19)
InChIKeyAYARBLCDGLSUHW-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.58
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide

N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107022287) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107022287
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC NameN-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C(S)Cc1ccccc1
InChIInChI=1S/C15H13BrClNOS/c16-11-6-7-13(12(17)9-11)18-15(19)14(20)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,18,19)
InChIKeyAYARBLCDGLSUHW-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107022021
3-phenyl-2-sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 107020178
N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021867
N-(2-bromo-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107019806
N-(2-chloro-5-fluorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107531677
N-(4-bromo-2-chlorophenyl)-2-chloro-2-phenylacetamide
CID 43236641
(2R)-2-amino-N-(4-bromo-2-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904692
(2S)-N-(4-bromo-2-chlorophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-phenylpropanamide
CID 98192035
N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107036110
N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
CID 17312049
N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021334
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide (CID 107022287) is N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide is O=C(Nc1ccc(Br)cc1Cl)C(S)Cc1ccccc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is AYARBLCDGLSUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c16-11-6-7-13(12(17)9-11)18-15(19)14(20)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,18,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide?
N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 370.70 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107022287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).