1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid

C31H23NO4 — CID 67822005

IUPAC1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid
SMILESO=C(Nc1ccccc1)c1cc2cc(OCc3ccccc3)ccc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C31H23NO4/c33-30(32-24-14-8-3-9-15-24)27-19-23-18-25(36-20-21-10-4-1-5-11-21)16-17-26(23)28(29(27)31(34)35)22-12-6-2-7-13-22/h1-19H,20H2,(H,32,33)(H,34,35)
InChIKeyRMDGDMUCGVZJIF-UHFFFAOYSA-N
MW473.53 g/mol
LogP7.04
Rot. Bonds7

About 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid

1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid (PubChem CID 67822005) has the molecular formula C31H23NO4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid
PubChem CID67822005
Molecular FormulaC31H23NO4
Molecular Weight473.53 g/mol
Exact Mass473.16
IUPAC Name1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid
SMILESO=C(Nc1ccccc1)c1cc2cc(OCc3ccccc3)ccc2c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C31H23NO4/c33-30(32-24-14-8-3-9-15-24)27-19-23-18-25(36-20-21-10-4-1-5-11-21)16-17-26(23)28(29(27)31(34)35)22-12-6-2-7-13-22/h1-19H,20H2,(H,32,33)(H,34,35)
InChIKeyRMDGDMUCGVZJIF-UHFFFAOYSA-N
XLogP7.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1336313
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CID 7033170
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea
CID 3526755
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
2-bromo-N-(3-ethynylphenyl)-4-phenylmethoxybenzamide
CID 174760803

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid (CID 67822005) is 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid is O=C(Nc1ccccc1)c1cc2cc(OCc3ccccc3)ccc2c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid?
The InChIKey is RMDGDMUCGVZJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO4/c33-30(32-24-14-8-3-9-15-24)27-19-23-18-25(36-20-21-10-4-1-5-11-21)16-17-26(23)28(29(27)31(34)35)22-12-6-2-7-13-22/h1-19H,20H2,(H,32,33)(H,34,35).
What are the key properties of 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid?
1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid has a molecular weight of 473.53 g/mol, XLogP of 7.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 67822005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).