N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide

C10H10BrClFNO — CID 61017025

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C10H10BrClFNO/c1-6(12)10(15)14-5-7-4-8(13)2-3-9(7)11/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyQXMPURQPKRGXLL-UHFFFAOYSA-N
MW294.55 g/mol
LogP2.83
Rot. Bonds3

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

N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide (PubChem CID 61017025) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
PubChem CID61017025
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C10H10BrClFNO/c1-6(12)10(15)14-5-7-4-8(13)2-3-9(7)11/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyQXMPURQPKRGXLL-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide 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

(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 103929422
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708234
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
CID 81089667
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
1-[(2-bromo-5-fluorophenyl)methyl]-3-[(2S)-2-methoxypropyl]urea
CID 99830556
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
2-[(2-bromo-5-fluorophenyl)methylamino]-N-butylpropanamide
CID 54902468
1-[(2-bromo-5-fluorophenyl)methyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338195

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide (CID 61017025) is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide is CC(Cl)C(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide?
The InChIKey is QXMPURQPKRGXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c1-6(12)10(15)14-5-7-4-8(13)2-3-9(7)11/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide?
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide has a molecular weight of 294.55 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide is sourced from PubChem (CID 61017025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).