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

C15H13BrCl2N2O — CID 109039266

IUPAC3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCNc1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O/c16-10-1-4-12(5-2-10)19-8-7-15(21)20-14-6-3-11(17)9-13(14)18/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyYSOKXTNNKGVEIJ-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.20
Rot. Bonds5

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

3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide (PubChem CID 109039266) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
PubChem CID109039266
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCNc1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O/c16-10-1-4-12(5-2-10)19-8-7-15(21)20-14-6-3-11(17)9-13(14)18/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyYSOKXTNNKGVEIJ-UHFFFAOYSA-N
XLogP5.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
CID 109039968
ethyl 4-[[3-(2,4-dichloroanilino)-3-oxopropyl]amino]benzoate
CID 109042450
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide (CID 109039266) is 3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide is O=C(CCNc1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is YSOKXTNNKGVEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c16-10-1-4-12(5-2-10)19-8-7-15(21)20-14-6-3-11(17)9-13(14)18/h1-6,9,19H,7-8H2,(H,20,21).
What are the key properties of 3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide?
3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 388.09 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 109039266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).