2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

C14H17BrFNO — CID 114328092

IUPAC2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H17BrFNO/c1-14(2,15)13(18)17(12-7-8-12)9-10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKeyYJXFXWKBPRFDLR-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.49
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 114328092) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID114328092
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H17BrFNO/c1-14(2,15)13(18)17(12-7-8-12)9-10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3
InChIKeyYJXFXWKBPRFDLR-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide 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

Tebutam
CID 92299
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446757
N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446778
N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446782
N-[(2,5-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446783
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 121446847
N,2,2-Trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446878
N-[(4-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446902
N-benzyl-2-bromo-N-methylacetamide
CID 150681

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (CID 114328092) is 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is CC(C)(Br)C(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is YJXFXWKBPRFDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-14(2,15)13(18)17(12-7-8-12)9-10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 314.20 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 114328092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).