N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide

C29H22N2O3 — CID 2832490

IUPACN-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
SMILESO=C(C=Cc1cccc(NC(=O)c2ccccc2)c1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C29H22N2O3/c32-27(24-14-8-16-26(20-24)31-29(34)23-12-5-2-6-13-23)18-17-21-9-7-15-25(19-21)30-28(33)22-10-3-1-4-11-22/h1-20H,(H,30,33)(H,31,34)
InChIKeyIPWLHYSXJOKDFW-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.09
Rot. Bonds7

About N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide

N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide (PubChem CID 2832490) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
PubChem CID2832490
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC NameN-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
SMILESO=C(C=Cc1cccc(NC(=O)c2ccccc2)c1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C29H22N2O3/c32-27(24-14-8-16-26(20-24)31-29(34)23-12-5-2-6-13-23)18-17-21-9-7-15-25(19-21)30-28(33)22-10-3-1-4-11-22/h1-20H,(H,30,33)(H,31,34)
InChIKeyIPWLHYSXJOKDFW-UHFFFAOYSA-N
XLogP6.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[3-[3-[3-[(4-nitrobenzoyl)amino]phenyl]-3-oxoprop-1-enyl]phenyl]benzamide
CID 3092314
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
2-chloro-N-[3-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 30884467
3-[3-(pyridine-4-carbonylamino)phenyl]prop-2-enoic acid
CID 76907802
4-chloro-N-[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]benzamide
CID 177378529
1,3-dioxo-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]-2-[3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]carbamoyl]phenyl]isoindole-5-carboxamide
CID 6072018
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
N-[3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]phenyl]acetamide
CID 52643191
2-methyl-N-[3-[3-[4-[3-[3-(2-methylprop-2-enoylamino)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]prop-2-enamide
CID 2832522

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide?
The IUPAC name of N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide (CID 2832490) is N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide?
The canonical SMILES for N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide is O=C(C=Cc1cccc(NC(=O)c2ccccc2)c1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide?
The InChIKey is IPWLHYSXJOKDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3/c32-27(24-14-8-16-26(20-24)31-29(34)23-12-5-2-6-13-23)18-17-21-9-7-15-25(19-21)30-28(33)22-10-3-1-4-11-22/h1-20H,(H,30,33)(H,31,34).
What are the key properties of N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide?
N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide is sourced from PubChem (CID 2832490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).