N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide

C30H23NO2 — CID 139235353

IUPACN-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
SMILESO=C(NC(c1ccc(-c2ccccc2)cc1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C30H23NO2/c32-27-20-19-23-11-7-8-14-26(23)28(27)29(31-30(33)25-12-5-2-6-13-25)24-17-15-22(16-18-24)21-9-3-1-4-10-21/h1-20,29,32H,(H,31,33)
InChIKeyIYPLUFTZTFQHSW-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.73
Rot. Bonds5

About N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide

N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide (PubChem CID 139235353) has the molecular formula C30H23NO2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
PubChem CID139235353
Molecular FormulaC30H23NO2
Molecular Weight429.52 g/mol
Exact Mass429.17
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
SMILESO=C(NC(c1ccc(-c2ccccc2)cc1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C30H23NO2/c32-27-20-19-23-11-7-8-14-26(23)28(27)29(31-30(33)25-12-5-2-6-13-25)24-17-15-22(16-18-24)21-9-3-1-4-10-21/h1-20,29,32H,(H,31,33)
InChIKeyIYPLUFTZTFQHSW-UHFFFAOYSA-N
XLogP6.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3,5-dinitrobenzamide
CID 19165231
N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 122396722
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
CID 134025883
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 71733407
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide (CID 139235353) is N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide is O=C(NC(c1ccc(-c2ccccc2)cc1)c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide?
The InChIKey is IYPLUFTZTFQHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO2/c32-27-20-19-23-11-7-8-14-26(23)28(27)29(31-30(33)25-12-5-2-6-13-25)24-17-15-22(16-18-24)21-9-3-1-4-10-21/h1-20,29,32H,(H,31,33).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide?
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 6.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide is sourced from PubChem (CID 139235353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).