N-(4-formylphenyl)naphthalene-2-carboxamide

C18H13NO2 — CID 87842384

IUPACN-(4-formylphenyl)naphthalene-2-carboxamide
SMILESO=Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H13NO2/c20-12-13-5-9-17(10-6-13)19-18(21)16-8-7-14-3-1-2-4-15(14)11-16/h1-12H,(H,19,21)
InChIKeyMVCHSPQLWZPQFL-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.90
Rot. Bonds3

About N-(4-formylphenyl)naphthalene-2-carboxamide

N-(4-formylphenyl)naphthalene-2-carboxamide (PubChem CID 87842384) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-formylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-formylphenyl)naphthalene-2-carboxamide
PubChem CID87842384
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC NameN-(4-formylphenyl)naphthalene-2-carboxamide
SMILESO=Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H13NO2/c20-12-13-5-9-17(10-6-13)19-18(21)16-8-7-14-3-1-2-4-15(14)11-16/h1-12H,(H,19,21)
InChIKeyMVCHSPQLWZPQFL-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate
CID 66958345
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
3-[(4-formylphenyl)carbamoyl]benzoic acid;methanol
CID 143557011
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-formylphenyl)naphthalene-2-carboxamide (CID 87842384) is N-(4-formylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-formylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-formylphenyl)naphthalene-2-carboxamide is O=Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-formylphenyl)naphthalene-2-carboxamide?
The InChIKey is MVCHSPQLWZPQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-12-13-5-9-17(10-6-13)19-18(21)16-8-7-14-3-1-2-4-15(14)11-16/h1-12H,(H,19,21).
What are the key properties of N-(4-formylphenyl)naphthalene-2-carboxamide?
N-(4-formylphenyl)naphthalene-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 87842384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).