2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide

C18H19BrClN3O2 — CID 24614973

IUPAC2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(C)cc2Br)cc1Cl
InChIInChI=1S/C18H19BrClN3O2/c1-10-4-6-16(14(19)8-10)23-18(25)11(2)21-13-5-7-17(15(20)9-13)22-12(3)24/h4-9,11,21H,1-3H3,(H,22,24)(H,23,25)
InChIKeyJTUVZLMKPBSUSW-UHFFFAOYSA-N
MW424.73 g/mol
LogP4.81
Rot. Bonds5

About 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide

2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide (PubChem CID 24614973) has the molecular formula C18H19BrClN3O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide
PubChem CID24614973
Molecular FormulaC18H19BrClN3O2
Molecular Weight424.73 g/mol
Exact Mass423.03
IUPAC Name2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(C)cc2Br)cc1Cl
InChIInChI=1S/C18H19BrClN3O2/c1-10-4-6-16(14(19)8-10)23-18(25)11(2)21-13-5-7-17(15(20)9-13)22-12(3)24/h4-9,11,21H,1-3H3,(H,22,24)(H,23,25)
InChIKeyJTUVZLMKPBSUSW-UHFFFAOYSA-N
XLogP4.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.73
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 2571792
N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
CID 115556688
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
CID 2475002
2-(4-acetamido-3-chloroanilino)-N-(1-adamantyl)propanamide
CID 42896521
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide?
The IUPAC name of 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide (CID 24614973) is 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide?
The canonical SMILES for 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide is CC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(C)cc2Br)cc1Cl.
What is the InChIKey of 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide?
The InChIKey is JTUVZLMKPBSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O2/c1-10-4-6-16(14(19)8-10)23-18(25)11(2)21-13-5-7-17(15(20)9-13)22-12(3)24/h4-9,11,21H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide?
2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide has a molecular weight of 424.73 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide is sourced from PubChem (CID 24614973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).