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

C15H13BrCl2N2O — CID 5080639

IUPAC2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide
SMILESCC(Nc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2O/c1-9(19-11-7-5-10(16)6-8-11)15(21)20-13-4-2-3-12(17)14(13)18/h2-9,19H,1H3,(H,20,21)
InChIKeyAGZJZYYKGFHLBL-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.20
Rot. Bonds4

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

2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide (PubChem CID 5080639) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide
PubChem CID5080639
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide
SMILESCC(Nc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13BrCl2N2O/c1-9(19-11-7-5-10(16)6-8-11)15(21)20-13-4-2-3-12(17)14(13)18/h2-9,19H,1H3,(H,20,21)
InChIKeyAGZJZYYKGFHLBL-UHFFFAOYSA-N
XLogP5.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide (CID 5080639) is 2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide is CC(Nc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is AGZJZYYKGFHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c1-9(19-11-7-5-10(16)6-8-11)15(21)20-13-4-2-3-12(17)14(13)18/h2-9,19H,1H3,(H,20,21).
What are the key properties of 2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide?
2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 388.09 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 5080639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).