2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

C11H13BrClNO3 — CID 107902838

IUPAC2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Br)c(OC)cc1Cl
InChIInChI=1S/C11H13BrClNO3/c1-6(12)11(15)14-8-5-9(16-2)7(13)4-10(8)17-3/h4-6H,1-3H3,(H,14,15)
InChIKeySGBFFNQJMCKZNC-UHFFFAOYSA-N
MW322.59 g/mol
LogP3.08
Rot. Bonds4

About 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (PubChem CID 107902838) has the molecular formula C11H13BrClNO3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
PubChem CID107902838
Molecular FormulaC11H13BrClNO3
Molecular Weight322.59 g/mol
Exact Mass320.98
IUPAC Name2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Br)c(OC)cc1Cl
InChIInChI=1S/C11H13BrClNO3/c1-6(12)11(15)14-8-5-9(16-2)7(13)4-10(8)17-3/h4-6H,1-3H3,(H,14,15)
InChIKeySGBFFNQJMCKZNC-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
CID 9181052
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 42905073

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (CID 107902838) is 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)C(C)Br)c(OC)cc1Cl.
What is the InChIKey of 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The InChIKey is SGBFFNQJMCKZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO3/c1-6(12)11(15)14-8-5-9(16-2)7(13)4-10(8)17-3/h4-6H,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide has a molecular weight of 322.59 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 107902838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).