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

C13H15BrFNO — CID 107904215

IUPAC2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(Br)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H15BrFNO/c1-9(14)13(17)16(12-6-7-12)8-10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3
InChIKeyRWGVCIXVPNUDBU-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.10
Rot. Bonds4

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

2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 107904215) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID107904215
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(Br)C(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H15BrFNO/c1-9(14)13(17)16(12-6-7-12)8-10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3
InChIKeyRWGVCIXVPNUDBU-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 92299
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CID 121446659
N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446782
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
1-[2-(3-Fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 20895670
N-Benzyl-2-bromopropanamide
CID 145880
N-Benzyl-2-bromo-2-methylpropanamide
CID 151608
Acetamide, N-ethyl-N-(1-phenylethyl)-
CID 48102
N-Benzyl-2-bromo-N-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide (CID 107904215) is 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide is CC(Br)C(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is RWGVCIXVPNUDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-9(14)13(17)16(12-6-7-12)8-10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide?
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 300.17 g/mol, XLogP of 3.10, 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]propanamide is sourced from PubChem (CID 107904215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).