3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide

C18H21BrN2O — CID 109036483

IUPAC3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1ccc(Br)cc1C)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-3-21(16-7-5-4-6-8-16)18(22)11-12-20-17-10-9-15(19)13-14(17)2/h4-10,13,20H,3,11-12H2,1-2H3
InChIKeyZAALTVKRQKEVLA-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.61
Rot. Bonds6

About 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide

3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide (PubChem CID 109036483) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
PubChem CID109036483
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1ccc(Br)cc1C)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-3-21(16-7-5-4-6-8-16)18(22)11-12-20-17-10-9-15(19)13-14(17)2/h4-10,13,20H,3,11-12H2,1-2H3
InChIKeyZAALTVKRQKEVLA-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
CID 109036445
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
3-(3-bromo-4-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036446
3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036434
N-ethyl-3-(4-methylanilino)-N-phenylpropanamide
CID 109034444
3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036498
3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide
CID 109024204
N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
CID 109036567
N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 109036429
2-[2-[(4-bromo-2-methylanilino)methyl]phenyl]acetic acid
CID 115461411
3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
CID 60961459
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide (CID 109036483) is 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCNc1ccc(Br)cc1C)c1ccccc1.
What is the InChIKey of 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide?
The InChIKey is ZAALTVKRQKEVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-3-21(16-7-5-4-6-8-16)18(22)11-12-20-17-10-9-15(19)13-14(17)2/h4-10,13,20H,3,11-12H2,1-2H3.
What are the key properties of 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide?
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide has a molecular weight of 361.28 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 109036483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).