N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide

C11H12BrClN2O3 — CID 54967415

IUPACN-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
SMILESCOc1ccc(Br)cc1NC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C11H12BrClN2O3/c1-6(13)10(16)15-11(17)14-8-5-7(12)3-4-9(8)18-2/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyJYHVAPYHWKOQNX-UHFFFAOYSA-N
MW335.59 g/mol
LogP2.73
Rot. Bonds3

About N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide

N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide (PubChem CID 54967415) has the molecular formula C11H12BrClN2O3 and a molecular weight of 335.59 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
PubChem CID54967415
Molecular FormulaC11H12BrClN2O3
Molecular Weight335.59 g/mol
Exact Mass333.97
IUPAC NameN-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
SMILESCOc1ccc(Br)cc1NC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C11H12BrClN2O3/c1-6(13)10(16)15-11(17)14-8-5-7(12)3-4-9(8)18-2/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyJYHVAPYHWKOQNX-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
N-[(4-bromo-3-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 82860607
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-[(4-bromo-2-cyanophenyl)carbamoyl]-2-chloropropanamide
CID 82703908
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide
CID 115180249
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508
2-[(5-bromo-2-methoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62639776
1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea
CID 75510519

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide (CID 54967415) is N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide is COc1ccc(Br)cc1NC(=O)NC(=O)C(C)Cl.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide?
The InChIKey is JYHVAPYHWKOQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O3/c1-6(13)10(16)15-11(17)14-8-5-7(12)3-4-9(8)18-2/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide?
N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide has a molecular weight of 335.59 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide is sourced from PubChem (CID 54967415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).