N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide

C10H10BrClFNO2 — CID 71975409

IUPACN-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C10H10BrClFNO2/c1-16-3-2-10(15)14-9-4-6(11)8(13)5-7(9)12/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyGYQBEBBDIUWBNB-UHFFFAOYSA-N
MW310.55 g/mol
LogP3.22
Rot. Bonds4

About N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide

N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide (PubChem CID 71975409) has the molecular formula C10H10BrClFNO2 and a molecular weight of 310.55 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide
PubChem CID71975409
Molecular FormulaC10H10BrClFNO2
Molecular Weight310.55 g/mol
Exact Mass308.96
IUPAC NameN-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C10H10BrClFNO2/c1-16-3-2-10(15)14-9-4-6(11)8(13)5-7(9)12/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyGYQBEBBDIUWBNB-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide 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

N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 65498940
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide
CID 130520854
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
CID 62588775
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
tert-butyl N-[2,3,4-trifluoro-5-(3-methoxypropanoylamino)phenyl]carbamate
CID 136562270
2-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]-N-methylacetamide
CID 167931660
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
5-bromo-3-(3-methoxypropanoylamino)-2-methylbenzoic acid
CID 126833558

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide?
The IUPAC name of N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide (CID 71975409) is N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide.
What is the SMILES notation for N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide?
The canonical SMILES for N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide is COCCC(=O)Nc1cc(Br)c(F)cc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide?
The InChIKey is GYQBEBBDIUWBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO2/c1-16-3-2-10(15)14-9-4-6(11)8(13)5-7(9)12/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide?
N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide has a molecular weight of 310.55 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide is sourced from PubChem (CID 71975409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).