7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide

C29H22N2O3 — CID 22081973

IUPAC7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccc2cc(O)c(C(=O)Nc3cccc4ccccc34)cc2c1
InChIInChI=1S/C29H22N2O3/c32-27-17-21-13-14-22(28(33)30-18-19-7-2-1-3-8-19)15-23(21)16-25(27)29(34)31-26-12-6-10-20-9-4-5-11-24(20)26/h1-17,32H,18H2,(H,30,33)(H,31,34)
InChIKeyUGFLVFPTADWKNG-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.88
Rot. Bonds5

About 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide

7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide (PubChem CID 22081973) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
PubChem CID22081973
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC Name7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccc2cc(O)c(C(=O)Nc3cccc4ccccc34)cc2c1
InChIInChI=1S/C29H22N2O3/c32-27-17-21-13-14-22(28(33)30-18-19-7-2-1-3-8-19)15-23(21)16-25(27)29(34)31-26-12-6-10-20-9-4-5-11-24(20)26/h1-17,32H,18H2,(H,30,33)(H,31,34)
InChIKeyUGFLVFPTADWKNG-UHFFFAOYSA-N
XLogP5.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid
CID 90656007
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
3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402819
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332
3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide
CID 134171199
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid
CID 174840347
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
3-hydroxy-2-N,7-N-dimethylnaphthalene-2,7-dicarboxamide
CID 59002091

Frequently Asked Questions

What is the IUPAC name of 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide?
The IUPAC name of 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide (CID 22081973) is 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide?
The canonical SMILES for 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide is O=C(NCc1ccccc1)c1ccc2cc(O)c(C(=O)Nc3cccc4ccccc34)cc2c1.
What is the InChIKey of 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide?
The InChIKey is UGFLVFPTADWKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3/c32-27-17-21-13-14-22(28(33)30-18-19-7-2-1-3-8-19)15-23(21)16-25(27)29(34)31-26-12-6-10-20-9-4-5-11-24(20)26/h1-17,32H,18H2,(H,30,33)(H,31,34).
What are the key properties of 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide?
7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide has a molecular weight of 446.51 g/mol, XLogP of 5.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 22081973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).