(2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate

C17H15ClFNO3 — CID 954137

IUPAC(2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11-5-7-12(8-6-11)17(22)20-9-16(21)23-10-13-14(18)3-2-4-15(13)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyZXLBQLDVJBJRMV-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.26
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate

(2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate (PubChem CID 954137) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate
PubChem CID954137
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11-5-7-12(8-6-11)17(22)20-9-16(21)23-10-13-14(18)3-2-4-15(13)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyZXLBQLDVJBJRMV-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate (CID 954137) is (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate?
The InChIKey is ZXLBQLDVJBJRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-11-5-7-12(8-6-11)17(22)20-9-16(21)23-10-13-14(18)3-2-4-15(13)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate?
(2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate has a molecular weight of 335.76 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 954137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).