3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide

C18H21BrN2O — CID 109020660

IUPAC3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCN(C)Cc1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-14-12-16(19)8-9-17(14)20-18(22)10-11-21(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyACTQCFHHYWISCN-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.22
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide

3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide (PubChem CID 109020660) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
PubChem CID109020660
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCN(C)Cc1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-14-12-16(19)8-9-17(14)20-18(22)10-11-21(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyACTQCFHHYWISCN-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide
CID 108946169
N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
CID 109036567
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
CID 90483527
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 171702396
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
1-amino-1-benzyl-3-(4-bromo-2-methylphenyl)thiourea
CID 134112957

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide (CID 109020660) is 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide is Cc1cc(Br)ccc1NC(=O)CCN(C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
The InChIKey is ACTQCFHHYWISCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-14-12-16(19)8-9-17(14)20-18(22)10-11-21(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide?
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide has a molecular weight of 361.28 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide is sourced from PubChem (CID 109020660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).