2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

C11H13BrClNO2 — CID 107902832

IUPAC2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Br
InChIInChI=1S/C11H13BrClNO2/c1-6-4-9(14-11(15)7(2)12)10(16-3)5-8(6)13/h4-5,7H,1-3H3,(H,14,15)
InChIKeyUAIIQBHDQVCXKH-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.38
Rot. Bonds3

About 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (PubChem CID 107902832) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
PubChem CID107902832
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Br
InChIInChI=1S/C11H13BrClNO2/c1-6-4-9(14-11(15)7(2)12)10(16-3)5-8(6)13/h4-5,7H,1-3H3,(H,14,15)
InChIKeyUAIIQBHDQVCXKH-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 103928289
(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 7376119
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
CID 104683435
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1300506
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 23914557
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 53267001

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (CID 107902832) is 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The InChIKey is UAIIQBHDQVCXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-6-4-9(14-11(15)7(2)12)10(16-3)5-8(6)13/h4-5,7H,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide has a molecular weight of 306.59 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 107902832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).