ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate

C17H15ClFNO3 — CID 56609034

IUPACethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2C)c(Cl)c1
InChIInChI=1S/C17H15ClFNO3/c1-3-23-17(22)11-4-7-15(14(18)9-11)20-16(21)13-6-5-12(19)8-10(13)2/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyOLBDKKGMSRMETJ-UHFFFAOYSA-N
MW335.76 g/mol
LogP4.22
Rot. Bonds4

About ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate

ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate (PubChem CID 56609034) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate
PubChem CID56609034
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Nameethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2C)c(Cl)c1
InChIInChI=1S/C17H15ClFNO3/c1-3-23-17(22)11-4-7-15(14(18)9-11)20-16(21)13-6-5-12(19)8-10(13)2/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyOLBDKKGMSRMETJ-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate (CID 56609034) is ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2C)c(Cl)c1.
What is the InChIKey of ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate?
The InChIKey is OLBDKKGMSRMETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-3-23-17(22)11-4-7-15(14(18)9-11)20-16(21)13-6-5-12(19)8-10(13)2/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate?
ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate has a molecular weight of 335.76 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-4-[(4-fluoro-2-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 56609034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).