N-(4-bromophenyl)-3-(4-chloroanilino)propanamide

C15H14BrClN2O — CID 109038187

IUPACN-(4-bromophenyl)-3-(4-chloroanilino)propanamide
SMILESO=C(CCNc1ccc(Cl)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c16-11-1-5-14(6-2-11)19-15(20)9-10-18-13-7-3-12(17)4-8-13/h1-8,18H,9-10H2,(H,19,20)
InChIKeyOVNIJXVMMHAQJR-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.54
Rot. Bonds5

About N-(4-bromophenyl)-3-(4-chloroanilino)propanamide

N-(4-bromophenyl)-3-(4-chloroanilino)propanamide (PubChem CID 109038187) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-chloroanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-chloroanilino)propanamide
PubChem CID109038187
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-(4-bromophenyl)-3-(4-chloroanilino)propanamide
SMILESO=C(CCNc1ccc(Cl)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c16-11-1-5-14(6-2-11)19-15(20)9-10-18-13-7-3-12(17)4-8-13/h1-8,18H,9-10H2,(H,19,20)
InChIKeyOVNIJXVMMHAQJR-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109039266
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175
N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide
CID 55951705
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide
CID 55979616
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-chloroanilino)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-chloroanilino)propanamide (CID 109038187) is N-(4-bromophenyl)-3-(4-chloroanilino)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-chloroanilino)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-chloroanilino)propanamide is O=C(CCNc1ccc(Cl)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-chloroanilino)propanamide?
The InChIKey is OVNIJXVMMHAQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c16-11-1-5-14(6-2-11)19-15(20)9-10-18-13-7-3-12(17)4-8-13/h1-8,18H,9-10H2,(H,19,20).
What are the key properties of N-(4-bromophenyl)-3-(4-chloroanilino)propanamide?
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide has a molecular weight of 353.65 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-chloroanilino)propanamide is sourced from PubChem (CID 109038187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).