3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide

C18H21BrN2O — CID 109024204

IUPAC3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide
SMILESCc1cc(Br)ccc1NCCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-14-13-16(19)7-8-17(14)20-12-10-18(22)21-11-9-15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyGSSFEAHIBLCQQP-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.92
Rot. Bonds7

About 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide

3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide (PubChem CID 109024204) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide
PubChem CID109024204
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide
SMILESCc1cc(Br)ccc1NCCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-14-13-16(19)7-8-17(14)20-12-10-18(22)21-11-9-15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyGSSFEAHIBLCQQP-UHFFFAOYSA-N
XLogP3.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023898
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701
3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025525
3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042234
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036483
ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate
CID 109024225
1-(4-bromo-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 52565167
3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184
N-ethyl-3-methyl-4-(2-phenylethylamino)benzamide
CID 60934976

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide (CID 109024204) is 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide is Cc1cc(Br)ccc1NCCC(=O)NCCc1ccccc1.
What is the InChIKey of 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide?
The InChIKey is GSSFEAHIBLCQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-14-13-16(19)7-8-17(14)20-12-10-18(22)21-11-9-15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3,(H,21,22).
What are the key properties of 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide?
3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide has a molecular weight of 361.28 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 109024204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).