N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide

C31H23NO3 — CID 70840440

IUPACN-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccc3ccccc3c2)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H23NO3/c1-35-29-19-17-28(18-20-29)32(31(34)26-12-11-22-7-5-6-10-25(22)21-26)27-15-13-24(14-16-27)30(33)23-8-3-2-4-9-23/h2-21H,1H3
InChIKeyVKXZKRYMCBNTEM-UHFFFAOYSA-N
MW457.53 g/mol
LogP7.06
Rot. Bonds6

About N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide

N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 70840440) has the molecular formula C31H23NO3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID70840440
Molecular FormulaC31H23NO3
Molecular Weight457.53 g/mol
Exact Mass457.17
IUPAC NameN-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccc3ccccc3c2)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H23NO3/c1-35-29-19-17-28(18-20-29)32(31(34)26-12-11-22-7-5-6-10-25(22)21-26)27-15-13-24(14-16-27)30(33)23-8-3-2-4-9-23/h2-21H,1H3
InChIKeyVKXZKRYMCBNTEM-UHFFFAOYSA-N
XLogP7.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
CID 110169848
N-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)benzamide
CID 154952087
4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide
CID 157213246
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
dinaphthalen-2-ylmethanone
CID 10945915
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide (CID 70840440) is N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide is COc1ccc(N(C(=O)c2ccc3ccccc3c2)c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is VKXZKRYMCBNTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO3/c1-35-29-19-17-28(18-20-29)32(31(34)26-12-11-22-7-5-6-10-25(22)21-26)27-15-13-24(14-16-27)30(33)23-8-3-2-4-9-23/h2-21H,1H3.
What are the key properties of N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-N-(4-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 70840440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).