[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate

C21H17NO4 — CID 837711

IUPAC[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H17NO4/c1-25-17-11-7-8-15(14-17)21(24)26-19-13-6-5-12-18(19)20(23)22-16-9-3-2-4-10-16/h2-14H,1H3,(H,22,23)
InChIKeyUODCIPOGUYBPOZ-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.17
Rot. Bonds5

About [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate

[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate (PubChem CID 837711) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
PubChem CID837711
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H17NO4/c1-25-17-11-7-8-15(14-17)21(24)26-19-13-6-5-12-18(19)20(23)22-16-9-3-2-4-10-16/h2-14H,1H3,(H,22,23)
InChIKeyUODCIPOGUYBPOZ-UHFFFAOYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
[2-[N-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 3-methoxybenzoate
CID 4547171
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate
CID 2386061
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
(2-acetyl-4-chlorophenyl) 3-methoxybenzoate
CID 13190809

Frequently Asked Questions

What is the IUPAC name of [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate?
The IUPAC name of [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate (CID 837711) is [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate.
What is the SMILES notation for [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate?
The canonical SMILES for [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate is COc1cccc(C(=O)Oc2ccccc2C(=O)Nc2ccccc2)c1.
What is the InChIKey of [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate?
The InChIKey is UODCIPOGUYBPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-25-17-11-7-8-15(14-17)21(24)26-19-13-6-5-12-18(19)20(23)22-16-9-3-2-4-10-16/h2-14H,1H3,(H,22,23).
What are the key properties of [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate?
[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate has a molecular weight of 347.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate is sourced from PubChem (CID 837711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).