2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide

C15H14ClNOS — CID 43236531

IUPAC2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
SMILESCSc1ccccc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H14ClNOS/c1-19-13-10-6-5-9-12(13)17-15(18)14(16)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,17,18)
InChIKeyHNDNBXCRBIUPBL-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.33
Rot. Bonds4

About 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide

2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide (PubChem CID 43236531) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
PubChem CID43236531
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
SMILESCSc1ccccc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H14ClNOS/c1-19-13-10-6-5-9-12(13)17-15(18)14(16)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,17,18)
InChIKeyHNDNBXCRBIUPBL-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554368
(2R)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554367
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
CID 79041942
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
N-(2-bromo-3-chlorophenyl)-2-chloro-2-phenylacetamide
CID 103478725
N-(2-bromo-4-fluorophenyl)-2-chloro-2-phenylacetamide
CID 43245530
2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide
CID 107594821
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419
2-amino-2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)acetamide
CID 106312111

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide (CID 43236531) is 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide is CSc1ccccc1NC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide?
The InChIKey is HNDNBXCRBIUPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-19-13-10-6-5-9-12(13)17-15(18)14(16)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide?
2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide has a molecular weight of 291.80 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide is sourced from PubChem (CID 43236531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).