2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide

C13H19BrN2O2 — CID 54968719

IUPAC2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide
SMILESCOc1ccc(Br)cc1NC(C)C(=O)NC(C)C
InChIInChI=1S/C13H19BrN2O2/c1-8(2)15-13(17)9(3)16-11-7-10(14)5-6-12(11)18-4/h5-9,16H,1-4H3,(H,15,17)
InChIKeyOGHRMQXVSXFSHJ-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.78
Rot. Bonds5

About 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide

2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide (PubChem CID 54968719) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide
PubChem CID54968719
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide
SMILESCOc1ccc(Br)cc1NC(C)C(=O)NC(C)C
InChIInChI=1S/C13H19BrN2O2/c1-8(2)15-13(17)9(3)16-11-7-10(14)5-6-12(11)18-4/h5-9,16H,1-4H3,(H,15,17)
InChIKeyOGHRMQXVSXFSHJ-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide 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

2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115588198
methyl 3-(5-bromo-2-methoxyanilino)-2-methylbutanoate
CID 79391329
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
5-(5-bromo-2-methoxyanilino)-3-methyl-5-oxopentanoic acid
CID 62964590
N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 54967415
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 9001696
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
(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

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide (CID 54968719) is 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide is COc1ccc(Br)cc1NC(C)C(=O)NC(C)C.
What is the InChIKey of 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide?
The InChIKey is OGHRMQXVSXFSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8(2)15-13(17)9(3)16-11-7-10(14)5-6-12(11)18-4/h5-9,16H,1-4H3,(H,15,17).
What are the key properties of 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide?
2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 54968719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).