ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate

C17H16FNO4 — CID 9228357

IUPACethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H16FNO4/c1-3-23-17(21)12-5-4-6-13(9-12)19-16(20)11-7-8-15(22-2)14(18)10-11/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeySNSLOIRFICDXTN-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.26
Rot. Bonds5

About ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate

ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate (PubChem CID 9228357) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
PubChem CID9228357
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Nameethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H16FNO4/c1-3-23-17(21)12-5-4-6-13(9-12)19-16(20)11-7-8-15(22-2)14(18)10-11/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeySNSLOIRFICDXTN-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

ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate
CID 100612781
ethyl 3-[[4-methoxy-3-[3-(trifluoromethyl)anilino]benzoyl]amino]benzoate
CID 54422821
ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
CID 28633152
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
[2-(3-bromoanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991384
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704037

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate (CID 9228357) is ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate?
The InChIKey is SNSLOIRFICDXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-3-23-17(21)12-5-4-6-13(9-12)19-16(20)11-7-8-15(22-2)14(18)10-11/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate?
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]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 ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 9228357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).