[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

C17H15ClFNO4 — CID 7490826

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)c(F)c1
InChIInChI=1S/C17H15ClFNO4/c1-10-7-11(18)3-6-15(10)20-16(21)9-24-17(22)13-5-4-12(23-2)8-14(13)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyWSLCLQBFQVEEIR-UHFFFAOYSA-N
MW351.76 g/mol
LogP3.59
Rot. Bonds5

About [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate (PubChem CID 7490826) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
PubChem CID7490826
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)c(F)c1
InChIInChI=1S/C17H15ClFNO4/c1-10-7-11(18)3-6-15(10)20-16(21)9-24-17(22)13-5-4-12(23-2)8-14(13)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyWSLCLQBFQVEEIR-UHFFFAOYSA-N
XLogP3.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate with MolForge

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Related Compounds

4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
CID 93969
4-({[3-(Trifluoromethyl)phenyl]carbamoyl}methoxy)benzoic acid
CID 3790288
2-{[(4-Chloro-2-methylphenoxy)acetyl]amino}benzoic acid
CID 839534
2-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoic acid
CID 11186257
2-[[2-(2-Acetyl-4-chloro-5-fluorophenoxy)acetyl]amino]benzoic acid
CID 16221158
Ethyl (4-{[(3-chloro-2-methylphenyl)amino]carbonyl}phenoxy)acetate
CID 733362
2-[(4-Chlorophenyl)amino]-2-oxoethyl 4-hydroxybenzoate
CID 883521
N-(2-Benzoyl-4-chloro-phenyl)-2-p-tolyloxy-acetamide
CID 1019207
2-[(3,4-Difluorophenyl)amino]-2-oxoethyl 3,4-dimethoxybenzoate
CID 2338093
2-[(2,4-Difluorophenyl)amino]-2-oxoethyl 3,4-dimethoxybenzoate
CID 2349901
[2-(3-Methoxyanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2352461
[2-[2-Chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 2428431

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate (CID 7490826) is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)c(F)c1.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
The InChIKey is WSLCLQBFQVEEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c1-10-7-11(18)3-6-15(10)20-16(21)9-24-17(22)13-5-4-12(23-2)8-14(13)19/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate has a molecular weight of 351.76 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 7490826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).