(3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide

C27H19NO — CID 142730330

IUPAC(3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide
SMILESO=C(Nc1ccccc1)C1=C/C(=C\c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C27H19NO/c29-27(28-23-10-2-1-3-11-23)26-18-22(24-12-6-7-13-25(24)26)17-19-14-15-20-8-4-5-9-21(20)16-19/h1-18H,(H,28,29)/b22-17+
InChIKeyLQHRINQPFATPPQ-OQKWZONESA-N
MW373.46 g/mol
LogP6.42
Rot. Bonds3

About (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide

(3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide (PubChem CID 142730330) has the molecular formula C27H19NO and a molecular weight of 373.46 g/mol. Its IUPAC name is (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide.

Molecular Properties

Compound Name(3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide
PubChem CID142730330
Molecular FormulaC27H19NO
Molecular Weight373.46 g/mol
Exact Mass373.15
IUPAC Name(3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide
SMILESO=C(Nc1ccccc1)C1=C/C(=C\c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C27H19NO/c29-27(28-23-10-2-1-3-11-23)26-18-22(24-12-6-7-13-25(24)26)17-19-14-15-20-8-4-5-9-21(20)16-19/h1-18H,(H,28,29)/b22-17+
InChIKeyLQHRINQPFATPPQ-OQKWZONESA-N
XLogP6.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.42
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

N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
N-[(Z)-2-naphthalen-2-ylethenyl]benzamide
CID 177309001
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate
CID 66958345
molecular hydrogen;N-phenylbenzamide
CID 145238042
3,5-dibenzamido-N-phenylbenzamide
CID 17340966

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide?
The IUPAC name of (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide (CID 142730330) is (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide.
What is the SMILES notation for (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide?
The canonical SMILES for (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide is O=C(Nc1ccccc1)C1=C/C(=C\c2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide?
The InChIKey is LQHRINQPFATPPQ-OQKWZONESA-N. The full InChI is InChI=1S/C27H19NO/c29-27(28-23-10-2-1-3-11-23)26-18-22(24-12-6-7-13-25(24)26)17-19-14-15-20-8-4-5-9-21(20)16-19/h1-18H,(H,28,29)/b22-17+.
What are the key properties of (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide?
(3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(naphthalen-2-ylmethylidene)-N-phenylindene-1-carboxamide is sourced from PubChem (CID 142730330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).