N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide

C29H21N3O2 — CID 69001823

IUPACN-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1/C=C/c1nn(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C29H21N3O2/c33-28(22-12-3-1-4-13-22)30-25-17-9-7-11-21(25)19-20-26-24-16-8-10-18-27(24)32(31-26)29(34)23-14-5-2-6-15-23/h1-20H,(H,30,33)/b20-19+
InChIKeyKZXSQCPTTZZWLR-FMQUCBEESA-N
MW443.51 g/mol
LogP6.15
Rot. Bonds5

About N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide

N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide (PubChem CID 69001823) has the molecular formula C29H21N3O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide
PubChem CID69001823
Molecular FormulaC29H21N3O2
Molecular Weight443.51 g/mol
Exact Mass443.16
IUPAC NameN-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1/C=C/c1nn(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C29H21N3O2/c33-28(22-12-3-1-4-13-22)30-25-17-9-7-11-21(25)19-20-26-24-16-8-10-18-27(24)32(31-26)29(34)23-14-5-2-6-15-23/h1-20H,(H,30,33)/b20-19+
InChIKeyKZXSQCPTTZZWLR-FMQUCBEESA-N
XLogP6.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone
CID 91505232
4-formyl-N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]benzamide
CID 86628199
N-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]benzamide
CID 166628260
N-(1-benzoylbenzimidazol-4-yl)benzamide
CID 118727404
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-4-methylsulfanylbenzamide
CID 68999306
N-(5,9-dibenzamidotriphenylen-1-yl)benzamide
CID 141408236
N-indolizin-8-ylbenzamide
CID 159451185
2,2,2-trifluoroethyl 1-benzoylindazole-3-carboxylate
CID 53357864
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid
CID 138738575
1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide
CID 56670017
N-[2-(methylamino)phenyl]benzamide
CID 101444547

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide?
The IUPAC name of N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide (CID 69001823) is N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide?
The canonical SMILES for N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide is O=C(Nc1ccccc1/C=C/c1nn(C(=O)c2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide?
The InChIKey is KZXSQCPTTZZWLR-FMQUCBEESA-N. The full InChI is InChI=1S/C29H21N3O2/c33-28(22-12-3-1-4-13-22)30-25-17-9-7-11-21(25)19-20-26-24-16-8-10-18-27(24)32(31-26)29(34)23-14-5-2-6-15-23/h1-20H,(H,30,33)/b20-19+.
What are the key properties of N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide?
N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide has a molecular weight of 443.51 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide is sourced from PubChem (CID 69001823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).