N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide

C42H34N2O7 — CID 158102212

IUPACN-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccccc3cc2O)c1OC.O=C(Nc1ccccc1Oc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C23H17NO3.C19H17NO4/c25-21-15-17-9-5-4-8-16(17)14-19(21)23(26)24-20-12-6-7-13-22(20)27-18-10-2-1-3-11-18;1-23-17-9-5-8-15(18(17)24-2)20-19(22)14-10-12-6-3-4-7-13(12)11-16(14)21/h1-15,25H,(H,24,26);3-11,21H,1-2H3,(H,20,22)
InChIKeyFPKDQCLCXLYSKS-UHFFFAOYSA-N
MW678.74 g/mol
LogP9.40
Rot. Bonds8

About N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide

N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide (PubChem CID 158102212) has the molecular formula C42H34N2O7 and a molecular weight of 678.74 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide
PubChem CID158102212
Molecular FormulaC42H34N2O7
Molecular Weight678.74 g/mol
Exact Mass678.24
IUPAC NameN-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccccc3cc2O)c1OC.O=C(Nc1ccccc1Oc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C23H17NO3.C19H17NO4/c25-21-15-17-9-5-4-8-16(17)14-19(21)23(26)24-20-12-6-7-13-22(20)27-18-10-2-1-3-11-18;1-23-17-9-5-8-15(18(17)24-2)20-19(22)14-10-12-6-3-4-7-13(12)11-16(14)21/h1-15,25H,(H,24,26);3-11,21H,1-2H3,(H,20,22)
InChIKeyFPKDQCLCXLYSKS-UHFFFAOYSA-N
XLogP9.40
TPSA126.35 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.74
LogP ≤ 59.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethoxyphenyl)-2-hydroxybenzamide
CID 90715346
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300
5-bromo-2-hydroxy-N-(2-phenoxyphenyl)benzamide
CID 20604832
N-(2-chloro-6-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 44721323
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402819
6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide
CID 1045606
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 24682124
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide (CID 158102212) is N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide is COc1cccc(NC(=O)c2cc3ccccc3cc2O)c1OC.O=C(Nc1ccccc1Oc1ccccc1)c1cc2ccccc2cc1O.
What is the InChIKey of N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is FPKDQCLCXLYSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3.C19H17NO4/c25-21-15-17-9-5-4-8-16(17)14-19(21)23(26)24-20-12-6-7-13-22(20)27-18-10-2-1-3-11-18;1-23-17-9-5-8-15(18(17)24-2)20-19(22)14-10-12-6-3-4-7-13(12)11-16(14)21/h1-15,25H,(H,24,26);3-11,21H,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide?
N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 678.74 g/mol, XLogP of 9.40, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 158102212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).