2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid

C36H26N2O7 — CID 160883730

IUPAC2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2ccccc2c1.O=C(O)c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H13NO4.C18H13NO3/c20-16-8-7-14(10-15(16)18(22)23)19-17(21)13-6-5-11-3-1-2-4-12(11)9-13;20-17(19-14-10-8-13(9-11-14)18(21)22)16-7-3-5-12-4-1-2-6-15(12)16/h1-10,20H,(H,19,21)(H,22,23);1-11H,(H,19,20)(H,21,22)
InChIKeySNJBAOBOTPPXAD-UHFFFAOYSA-N
MW598.61 g/mol
LogP7.29
Rot. Bonds6

About 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid

2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid (PubChem CID 160883730) has the molecular formula C36H26N2O7 and a molecular weight of 598.61 g/mol. Its IUPAC name is 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
PubChem CID160883730
Molecular FormulaC36H26N2O7
Molecular Weight598.61 g/mol
Exact Mass598.17
IUPAC Name2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2ccccc2c1.O=C(O)c1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H13NO4.C18H13NO3/c20-16-8-7-14(10-15(16)18(22)23)19-17(21)13-6-5-11-3-1-2-4-12(11)9-13;20-17(19-14-10-8-13(9-11-14)18(21)22)16-7-3-5-12-4-1-2-6-15(12)16/h1-10,20H,(H,19,21)(H,22,23);1-11H,(H,19,20)(H,21,22)
InChIKeySNJBAOBOTPPXAD-UHFFFAOYSA-N
XLogP7.29
TPSA153.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.61
LogP ≤ 57.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 108753992
N-(3-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64781251
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138
N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636674
3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
CID 19595926
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039
2-hydroxy-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672191

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid (CID 160883730) is 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid is O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2ccccc2c1.O=C(O)c1ccc(NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid?
The InChIKey is SNJBAOBOTPPXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4.C18H13NO3/c20-16-8-7-14(10-15(16)18(22)23)19-17(21)13-6-5-11-3-1-2-4-12(11)9-13;20-17(19-14-10-8-13(9-11-14)18(21)22)16-7-3-5-12-4-1-2-6-15(12)16/h1-10,20H,(H,19,21)(H,22,23);1-11H,(H,19,20)(H,21,22).
What are the key properties of 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid?
2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid has a molecular weight of 598.61 g/mol, XLogP of 7.29, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid is sourced from PubChem (CID 160883730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).