N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide

C16H14BrNO — CID 6440077

IUPACN-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNO/c1-12(19)18-16-10-6-14(7-11-16)3-2-13-4-8-15(17)9-5-13/h2-11H,1H3,(H,18,19)/b3-2+
InChIKeyHLFGRHJJMJEVAD-NSCUHMNNSA-N
MW316.20 g/mol
LogP4.58
Rot. Bonds3

About N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide

N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide (PubChem CID 6440077) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide
PubChem CID6440077
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC NameN-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNO/c1-12(19)18-16-10-6-14(7-11-16)3-2-13-4-8-15(17)9-5-13/h2-11H,1H3,(H,18,19)/b3-2+
InChIKeyHLFGRHJJMJEVAD-NSCUHMNNSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methylacetanilide
CID 7684
N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
Acetylbenzidine
CID 18787
Acetamide, N-(2-bromo-4-methylphenyl)-
CID 69200
4',4''-Methylenebis(acetanilide)
CID 94990
AZ12216052
CID 73755190
N-(4-Ethylphenyl)acetamide
CID 72893
N-(4-Bromo-2-methylphenyl)acetamide
CID 222277
trans-4-Acetylaminostilbene
CID 786655
N-(4''-bromo-3,3''-difluoro-4-biphenylyl)urea
CID 11595053
N-(4-methylphenyl)-3-phenylacrylamide
CID 787183

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide (CID 6440077) is N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide?
The InChIKey is HLFGRHJJMJEVAD-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-12(19)18-16-10-6-14(7-11-16)3-2-13-4-8-15(17)9-5-13/h2-11H,1H3,(H,18,19)/b3-2+.
What are the key properties of N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide?
N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide has a molecular weight of 316.20 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 6440077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).