2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide

C15H13ClFNO — CID 43212453

IUPAC2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
SMILESCc1cc(F)ccc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H13ClFNO/c1-10-9-12(17)7-8-13(10)18-15(19)14(16)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19)
InChIKeyZBMLNBBYBYHIFL-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.05
Rot. Bonds3

About 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide

2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide (PubChem CID 43212453) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
PubChem CID43212453
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
SMILESCc1cc(F)ccc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H13ClFNO/c1-10-9-12(17)7-8-13(10)18-15(19)14(16)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19)
InChIKeyZBMLNBBYBYHIFL-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2-chloro-2-phenylacetamide
CID 43245530
4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide
CID 43698893
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
CID 110883081
(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 8864929
2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
CID 43236531
N-(4-fluoro-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021334
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 51605145
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587
N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
CID 52916008
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide (CID 43212453) is 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide is Cc1cc(F)ccc1NC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide?
The InChIKey is ZBMLNBBYBYHIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10-9-12(17)7-8-13(10)18-15(19)14(16)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide?
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide has a molecular weight of 277.73 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 43212453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).