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

C18H18FNO4 — CID 100612781

IUPACethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H18FNO4/c1-4-24-18(22)13-6-5-11(2)15(10-13)20-17(21)12-7-8-16(23-3)14(19)9-12/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyWUWLWPSISCGPHM-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.57
Rot. Bonds5

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

ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate (PubChem CID 100612781) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Nameethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate
PubChem CID100612781
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Nameethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H18FNO4/c1-4-24-18(22)13-6-5-11(2)15(10-13)20-17(21)12-7-8-16(23-3)14(19)9-12/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyWUWLWPSISCGPHM-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18195720
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7544411
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
ethyl 3-[(3-aminobenzoyl)amino]-4-methylbenzoate
CID 154574450
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704068
3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 46486231
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate
CID 8920037
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate?
The IUPAC name of ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate (CID 100612781) is ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate.
What is the SMILES notation for ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate?
The canonical SMILES for ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate is CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate?
The InChIKey is WUWLWPSISCGPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-4-24-18(22)13-6-5-11(2)15(10-13)20-17(21)12-7-8-16(23-3)14(19)9-12/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate?
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate has a molecular weight of 331.34 g/mol, XLogP of 3.57, 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]-4-methylbenzoate is sourced from PubChem (CID 100612781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).