N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide

C30H26N2O2 — CID 118602038

IUPACN-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
SMILESC/C(=C(/C)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C30H26N2O2/c1-21(23-13-17-25(18-14-23)29(33)31-27-9-5-3-6-10-27)22(2)24-15-19-26(20-16-24)30(34)32-28-11-7-4-8-12-28/h3-20H,1-2H3,(H,31,33)(H,32,34)/b22-21+
InChIKeyDRALVHCYSWJRQB-QURGRASLSA-N
MW446.55 g/mol
LogP7.14
Rot. Bonds6

About N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide

N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide (PubChem CID 118602038) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
PubChem CID118602038
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC NameN-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
SMILESC/C(=C(/C)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C30H26N2O2/c1-21(23-13-17-25(18-14-23)29(33)31-27-9-5-3-6-10-27)22(2)24-15-19-26(20-16-24)30(34)32-28-11-7-4-8-12-28/h3-20H,1-2H3,(H,31,33)(H,32,34)/b22-21+
InChIKeyDRALVHCYSWJRQB-QURGRASLSA-N
XLogP7.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-(phenylcarbamoyl)benzoate
CID 158012761
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide?
The IUPAC name of N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide (CID 118602038) is N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide.
What is the SMILES notation for N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide?
The canonical SMILES for N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide is C/C(=C(/C)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide?
The InChIKey is DRALVHCYSWJRQB-QURGRASLSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-21(23-13-17-25(18-14-23)29(33)31-27-9-5-3-6-10-27)22(2)24-15-19-26(20-16-24)30(34)32-28-11-7-4-8-12-28/h3-20H,1-2H3,(H,31,33)(H,32,34)/b22-21+.
What are the key properties of N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide?
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide has a molecular weight of 446.55 g/mol, XLogP of 7.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide is sourced from PubChem (CID 118602038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).