N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide

C26H18N2O4 — CID 514107

IUPACN-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H18N2O4/c29-24(17-7-2-1-3-8-17)23-21-13-12-20(15-22(21)28(32)26(23)31)27-25(30)19-11-10-16-6-4-5-9-18(16)14-19/h1-15,31-32H,(H,27,30)
InChIKeyLGNVQIXVQWIJPW-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.22
Rot. Bonds4

About N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide

N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide (PubChem CID 514107) has the molecular formula C26H18N2O4 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide
PubChem CID514107
Molecular FormulaC26H18N2O4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC NameN-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H18N2O4/c29-24(17-7-2-1-3-8-17)23-21-13-12-20(15-22(21)28(32)26(23)31)27-25(30)19-11-10-16-6-4-5-9-18(16)14-19/h1-15,31-32H,(H,27,30)
InChIKeyLGNVQIXVQWIJPW-UHFFFAOYSA-N
XLogP5.22
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N-(3-benzoyl-1,2-dihydroxyindol-6-yl)benzamide
CID 44591139
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
CID 160883730
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]naphthalene-2-carboxamide
CID 17111820

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide (CID 514107) is N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide is O=C(Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide?
The InChIKey is LGNVQIXVQWIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4/c29-24(17-7-2-1-3-8-17)23-21-13-12-20(15-22(21)28(32)26(23)31)27-25(30)19-11-10-16-6-4-5-9-18(16)14-19/h1-15,31-32H,(H,27,30).
What are the key properties of N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide?
N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-1,2-dihydroxyindol-6-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 514107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).