N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide

C16H15BrClNO — CID 81272164

IUPACN-(2-bromo-4-chlorophenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C16H15BrClNO/c1-2-13(11-6-4-3-5-7-11)16(20)19-15-9-8-12(18)10-14(15)17/h3-10,13H,2H2,1H3,(H,19,20)
InChIKeyULOGEGVJLORRNL-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.23
Rot. Bonds4

About N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide

N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide (PubChem CID 81272164) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2-phenylbutanamide
PubChem CID81272164
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(2-bromo-4-chlorophenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C16H15BrClNO/c1-2-13(11-6-4-3-5-7-11)16(20)19-15-9-8-12(18)10-14(15)17/h3-10,13H,2H2,1H3,(H,19,20)
InChIKeyULOGEGVJLORRNL-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-[[(2S)-2-phenylbutanoyl]amino]benzoic acid
CID 2204406
N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
CID 107675571
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
CID 114929090
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
(2S)-2-[(2-bromo-4-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 81280954
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide (CID 81272164) is N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide is CCC(C(=O)Nc1ccc(Cl)cc1Br)c1ccccc1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide?
The InChIKey is ULOGEGVJLORRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-2-13(11-6-4-3-5-7-11)16(20)19-15-9-8-12(18)10-14(15)17/h3-10,13H,2H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide?
N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide has a molecular weight of 352.66 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide is sourced from PubChem (CID 81272164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).