methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate

C17H16FNO4 — CID 87006117

IUPACmethyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
SMILESCCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H16FNO4/c1-3-23-15-10-13(18)8-9-14(15)19-16(20)11-4-6-12(7-5-11)17(21)22-2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyFQYIKBVKRHGJQN-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.26
Rot. Bonds5

About methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate

methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate (PubChem CID 87006117) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
PubChem CID87006117
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Namemethyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
SMILESCCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H16FNO4/c1-3-23-15-10-13(18)8-9-14(15)19-16(20)11-4-6-12(7-5-11)17(21)22-2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyFQYIKBVKRHGJQN-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate
CID 87006237
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
N-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47251252
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
N-(2-ethoxy-4-fluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87006231
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 47268272
N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112837289
N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80711042
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate (CID 87006117) is methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate is CCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate?
The InChIKey is FQYIKBVKRHGJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-3-23-15-10-13(18)8-9-14(15)19-16(20)11-4-6-12(7-5-11)17(21)22-2/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate?
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate has a molecular weight of 317.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 87006117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).