N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide

C15H12BrClFNO — CID 61298690

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
SMILESO=C(NCc1cc(Br)ccc1F)C(Cl)c1ccccc1
InChIInChI=1S/C15H12BrClFNO/c16-12-6-7-13(18)11(8-12)9-19-15(20)14(17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20)
InChIKeyHZVFDGCTFYSRLK-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.18
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide (PubChem CID 61298690) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
PubChem CID61298690
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
SMILESO=C(NCc1cc(Br)ccc1F)C(Cl)c1ccccc1
InChIInChI=1S/C15H12BrClFNO/c16-12-6-7-13(18)11(8-12)9-19-15(20)14(17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20)
InChIKeyHZVFDGCTFYSRLK-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
CID 63795872
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-bromophenyl)butanamide
CID 24753291
N-[(5-bromo-2-fluorophenyl)methyl]-3-phenylprop-2-ynamide
CID 61299084
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide
CID 61298886
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
N-[(5-bromo-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186586
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide
CID 61300631
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
CID 106112585
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-phenylphenyl)urea
CID 74228460

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide (CID 61298690) is N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide is O=C(NCc1cc(Br)ccc1F)C(Cl)c1ccccc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide?
The InChIKey is HZVFDGCTFYSRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-12-6-7-13(18)11(8-12)9-19-15(20)14(17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide has a molecular weight of 356.62 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide is sourced from PubChem (CID 61298690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).