4-bromo-N-(4-phenylphenyl)butanamide

C16H16BrNO — CID 45379211

IUPAC4-bromo-N-(4-phenylphenyl)butanamide
SMILESO=C(CCCBr)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16BrNO/c17-12-4-7-16(19)18-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,18,19)
InChIKeyVDAYQNDJALSVHG-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.47
Rot. Bonds5

About 4-bromo-N-(4-phenylphenyl)butanamide

4-bromo-N-(4-phenylphenyl)butanamide (PubChem CID 45379211) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-bromo-N-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name4-bromo-N-(4-phenylphenyl)butanamide
PubChem CID45379211
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name4-bromo-N-(4-phenylphenyl)butanamide
SMILESO=C(CCCBr)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16BrNO/c17-12-4-7-16(19)18-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,18,19)
InChIKeyVDAYQNDJALSVHG-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(4-phenylphenyl)butanamide
CID 79192454
8-oxo-8-(4-phenylanilino)octanoic acid
CID 23092302
7-bromo-N-phenylheptanamide
CID 11266084
3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725
5,5-dibromo-N-phenylpentanamide
CID 174352057
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
4-[4-[4-(3-carboxypropanoylamino)phenyl]anilino]-4-oxobutanoic acid
CID 18877617
3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
CID 71583388
tert-butyl N-[4-[4-(6-bromohexanoylamino)phenyl]phenyl]carbamate
CID 176887538
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-phenylphenyl)butanamide?
The IUPAC name of 4-bromo-N-(4-phenylphenyl)butanamide (CID 45379211) is 4-bromo-N-(4-phenylphenyl)butanamide.
What is the SMILES notation for 4-bromo-N-(4-phenylphenyl)butanamide?
The canonical SMILES for 4-bromo-N-(4-phenylphenyl)butanamide is O=C(CCCBr)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-bromo-N-(4-phenylphenyl)butanamide?
The InChIKey is VDAYQNDJALSVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-12-4-7-16(19)18-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,18,19).
What are the key properties of 4-bromo-N-(4-phenylphenyl)butanamide?
4-bromo-N-(4-phenylphenyl)butanamide has a molecular weight of 318.21 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-phenylphenyl)butanamide is sourced from PubChem (CID 45379211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).