[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone

C23H18N2O — CID 144937847

IUPAC[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone
SMILES[H]/N=C(\C)c1cn(-c2ccc(C(=O)c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C23H18N2O/c1-16(24)21-15-25(22-10-6-5-9-20(21)22)19-13-11-18(12-14-19)23(26)17-7-3-2-4-8-17/h2-15,24H,1H3/b24-16+
InChIKeyZTKYOMBIIYUSRP-LFVJCYFKSA-N
MW338.41 g/mol
LogP5.25
Rot. Bonds4

About [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone

[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone (PubChem CID 144937847) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone
PubChem CID144937847
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone
SMILES[H]/N=C(\C)c1cn(-c2ccc(C(=O)c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C23H18N2O/c1-16(24)21-15-25(22-10-6-5-9-20(21)22)19-13-11-18(12-14-19)23(26)17-7-3-2-4-8-17/h2-15,24H,1H3/b24-16+
InChIKeyZTKYOMBIIYUSRP-LFVJCYFKSA-N
XLogP5.25
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

benzoic acid;1-[1-(furan-2-yl)indol-3-yl]ethanimine
CID 144937936
phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
CID 144937942
2-(3-ethanimidoylindol-1-yl)benzonitrile;propanoic acid
CID 145261087
2-(3-ethanimidoylindol-1-yl)benzonitrile
CID 145261088
1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide
CID 163898338
naphthalen-1-yl-(1-phenylindol-3-yl)methanone
CID 175269480
acetic acid;ethane;4-(3-heptanimidoylindol-1-yl)aniline
CID 145376529
acetic acid;phenyl-(1-thiophen-2-ylindol-3-yl)methanimine
CID 144937891
[(E)-[1-[1-(4-benzoylphenyl)indol-3-yl]-3-(2-methylphenyl)-1-oxopropan-2-ylidene]amino] benzoate
CID 137469275
1-(1-benzylindol-3-yl)ethanimine;propanoic acid
CID 144937842
ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate
CID 118142028
5-[3-(4-methylbenzoyl)indol-1-yl]thiophene-2-carboxylic acid
CID 177381266

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone (CID 144937847) is [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone is [H]/N=C(\C)c1cn(-c2ccc(C(=O)c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone?
The InChIKey is ZTKYOMBIIYUSRP-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H18N2O/c1-16(24)21-15-25(22-10-6-5-9-20(21)22)19-13-11-18(12-14-19)23(26)17-7-3-2-4-8-17/h2-15,24H,1H3/b24-16+.
What are the key properties of [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone?
[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone has a molecular weight of 338.41 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 144937847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).