2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide

C27H23NO3 — CID 59894415

IUPAC2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cc(C(=O)c3cccc4ccccc34)ccc2O)cc(C)c1C
InChIInChI=1S/C27H23NO3/c1-16-13-21(14-17(2)18(16)3)28-27(31)24-15-20(11-12-25(24)29)26(30)23-10-6-8-19-7-4-5-9-22(19)23/h4-15,29H,1-3H3,(H,28,31)
InChIKeyHCOBBRVIDAWXTP-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.95
Rot. Bonds4

About 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide

2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide (PubChem CID 59894415) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide
PubChem CID59894415
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cc(C(=O)c3cccc4ccccc34)ccc2O)cc(C)c1C
InChIInChI=1S/C27H23NO3/c1-16-13-21(14-17(2)18(16)3)28-27(31)24-15-20(11-12-25(24)29)26(30)23-10-6-8-19-7-4-5-9-22(19)23/h4-15,29H,1-3H3,(H,28,31)
InChIKeyHCOBBRVIDAWXTP-UHFFFAOYSA-N
XLogP5.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64781251
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 108753992
2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
CID 160883730
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide
CID 2179862
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
3-(naphthalene-1-carbonyl)benzoate
CID 6947576
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
4-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174709579

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide?
The IUPAC name of 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide (CID 59894415) is 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide?
The canonical SMILES for 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide is Cc1cc(NC(=O)c2cc(C(=O)c3cccc4ccccc34)ccc2O)cc(C)c1C.
What is the InChIKey of 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide?
The InChIKey is HCOBBRVIDAWXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c1-16-13-21(14-17(2)18(16)3)28-27(31)24-15-20(11-12-25(24)29)26(30)23-10-6-8-19-7-4-5-9-22(19)23/h4-15,29H,1-3H3,(H,28,31).
What are the key properties of 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide?
2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(naphthalene-1-carbonyl)-N-(3,4,5-trimethylphenyl)benzamide is sourced from PubChem (CID 59894415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).