N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide

C10H9BrClFN2O2 — CID 43146418

IUPACN-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H9BrClFN2O2/c1-5(12)9(16)15-10(17)14-8-3-2-6(13)4-7(8)11/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyICHPYDFWAINBBP-UHFFFAOYSA-N
MW323.55 g/mol
LogP2.86
Rot. Bonds2

About N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide

N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide (PubChem CID 43146418) has the molecular formula C10H9BrClFN2O2 and a molecular weight of 323.55 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide
PubChem CID43146418
Molecular FormulaC10H9BrClFN2O2
Molecular Weight323.55 g/mol
Exact Mass321.95
IUPAC NameN-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H9BrClFN2O2/c1-5(12)9(16)15-10(17)14-8-3-2-6(13)4-7(8)11/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyICHPYDFWAINBBP-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
(2S)-2-[(2-bromo-4-fluorophenyl)carbamoylamino]propanoic acid
CID 78967831
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
N-(2-bromo-4-fluorophenyl)-2-chloro-2-phenylacetamide
CID 43245530
4-[(2-bromo-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28939564
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2-bromo-4-fluorophenyl)urea
CID 28939155
(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
CID 43134311
N-[(4-bromo-2-cyanophenyl)carbamoyl]-2-chloropropanamide
CID 82703908
5-[(2-bromo-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 82845882

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide (CID 43146418) is N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide is CC(Cl)C(=O)NC(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide?
The InChIKey is ICHPYDFWAINBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFN2O2/c1-5(12)9(16)15-10(17)14-8-3-2-6(13)4-7(8)11/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide?
N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide has a molecular weight of 323.55 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide is sourced from PubChem (CID 43146418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).