N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide

C15H13BrClNO — CID 107582669

IUPACN-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide
SMILESCc1cc(Br)cc(NC(=O)C(Cl)c2ccccc2)c1
InChIInChI=1S/C15H13BrClNO/c1-10-7-12(16)9-13(8-10)18-15(19)14(17)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19)
InChIKeyREDWKFAOKJJVRD-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.68
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide

N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide (PubChem CID 107582669) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide
PubChem CID107582669
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide
SMILESCc1cc(Br)cc(NC(=O)C(Cl)c2ccccc2)c1
InChIInChI=1S/C15H13BrClNO/c1-10-7-12(16)9-13(8-10)18-15(19)14(17)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19)
InChIKeyREDWKFAOKJJVRD-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.68
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

2-amino-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 24701080
2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide
CID 62811265
N-(4-bromo-2-chlorophenyl)-2-chloro-2-phenylacetamide
CID 43236641
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
CID 115376593
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
2-chloro-N-[4-[(dimethylamino)methyl]phenyl]-2-phenylacetamide
CID 43700671
N-(2-bromo-4-fluorophenyl)-2-chloro-2-phenylacetamide
CID 43245530

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide (CID 107582669) is N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide is Cc1cc(Br)cc(NC(=O)C(Cl)c2ccccc2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide?
The InChIKey is REDWKFAOKJJVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-10-7-12(16)9-13(8-10)18-15(19)14(17)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide?
N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide has a molecular weight of 338.63 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-chloro-2-phenylacetamide is sourced from PubChem (CID 107582669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).