N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide

C17H18BrClN2O — CID 109038935

IUPACN-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
SMILESCc1cc(C)c(NCCC(=O)Nc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C17H18BrClN2O/c1-11-9-12(2)17(14(19)10-11)20-8-7-16(22)21-15-6-4-3-5-13(15)18/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyRHLKUEQPCRRKNX-UHFFFAOYSA-N
MW381.70 g/mol
LogP5.16
Rot. Bonds5

About N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide

N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide (PubChem CID 109038935) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
PubChem CID109038935
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC NameN-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
SMILESCc1cc(C)c(NCCC(=O)Nc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C17H18BrClN2O/c1-11-9-12(2)17(14(19)10-11)20-8-7-16(22)21-15-6-4-3-5-13(15)18/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyRHLKUEQPCRRKNX-UHFFFAOYSA-N
XLogP5.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.70
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
CID 109036681
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
2-(2-chloro-4,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 42125159
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide (CID 109038935) is N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide is Cc1cc(C)c(NCCC(=O)Nc2ccccc2Br)c(Cl)c1.
What is the InChIKey of N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
The InChIKey is RHLKUEQPCRRKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O/c1-11-9-12(2)17(14(19)10-11)20-8-7-16(22)21-15-6-4-3-5-13(15)18/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide has a molecular weight of 381.70 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide is sourced from PubChem (CID 109038935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).