2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide

C15H13BrCl2N2O — CID 60992379

IUPAC2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide
SMILESCC(Nc1cccc(Br)c1)(C(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-15(14(19)21,9-5-6-12(17)13(18)7-9)20-11-4-2-3-10(16)8-11/h2-8,20H,1H3,(H2,19,21)
InChIKeyKRXSPEPWRRKPER-UHFFFAOYSA-N
MW388.09 g/mol
LogP4.57
Rot. Bonds4

About 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide

2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide (PubChem CID 60992379) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide
PubChem CID60992379
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide
SMILESCC(Nc1cccc(Br)c1)(C(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-15(14(19)21,9-5-6-12(17)13(18)7-9)20-11-4-2-3-10(16)8-11/h2-8,20H,1H3,(H2,19,21)
InChIKeyKRXSPEPWRRKPER-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.09
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
CID 60991987
2-(3-bromoanilino)-2-phenylpropanamide
CID 54891412
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
2-(3-bromoanilino)-2-(2-methylphenyl)propanamide
CID 60992122
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide
CID 60996874
2-(3-bromoanilino)-2-cyclopropylpropanamide
CID 61006538
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
2-(3-bromoanilino)-3,3-dimethoxy-2-methylpropanamide
CID 66165349

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide (CID 60992379) is 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide is CC(Nc1cccc(Br)c1)(C(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide?
The InChIKey is KRXSPEPWRRKPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c1-15(14(19)21,9-5-6-12(17)13(18)7-9)20-11-4-2-3-10(16)8-11/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide?
2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide has a molecular weight of 388.09 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 60992379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).