N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide

C15H13BrClNO — CID 114028820

IUPACN-(3-bromo-4-chlorophenyl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrClNO/c1-10(11-5-3-2-4-6-11)15(19)18-12-7-8-14(17)13(16)9-12/h2-10H,1H3,(H,18,19)
InChIKeyWJKNTEMVPVGSPE-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.84
Rot. Bonds3

About N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide

N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide (PubChem CID 114028820) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-2-phenylpropanamide
PubChem CID114028820
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(3-bromo-4-chlorophenyl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrClNO/c1-10(11-5-3-2-4-6-11)15(19)18-12-7-8-14(17)13(16)9-12/h2-10H,1H3,(H,18,19)
InChIKeyWJKNTEMVPVGSPE-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233
2-bromo-N-[(2S)-1-(3,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2547276
(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 100913472
N-(4-formylphenyl)-2-phenylpropanamide
CID 87347129
(3S)-N-(3-bromo-4-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126010101
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158
methyl 3-(2-phenylpropanoylamino)benzoate
CID 104916705

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide (CID 114028820) is N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide is CC(C(=O)Nc1ccc(Cl)c(Br)c1)c1ccccc1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide?
The InChIKey is WJKNTEMVPVGSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-10(11-5-3-2-4-6-11)15(19)18-12-7-8-14(17)13(16)9-12/h2-10H,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide?
N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide has a molecular weight of 338.63 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide is sourced from PubChem (CID 114028820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).