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

C18H17ClFNO4 — CID 2418216

IUPAC(2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFNO4/c1-2-24-13-8-6-12(7-9-13)18(23)21-10-17(22)25-11-14-15(19)4-3-5-16(14)20/h3-9H,2,10-11H2,1H3,(H,21,23)
InChIKeyRGSIIEYFVRWVBC-UHFFFAOYSA-N
MW365.79 g/mol
LogP3.35
Rot. Bonds7

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

(2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 2418216) has the molecular formula C18H17ClFNO4 and a molecular weight of 365.79 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID2418216
Molecular FormulaC18H17ClFNO4
Molecular Weight365.79 g/mol
Exact Mass365.08
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFNO4/c1-2-24-13-8-6-12(7-9-13)18(23)21-10-17(22)25-11-14-15(19)4-3-5-16(14)20/h3-9H,2,10-11H2,1H3,(H,21,23)
InChIKeyRGSIIEYFVRWVBC-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (CID 2418216) is (2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is RGSIIEYFVRWVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO4/c1-2-24-13-8-6-12(7-9-13)18(23)21-10-17(22)25-11-14-15(19)4-3-5-16(14)20/h3-9H,2,10-11H2,1H3,(H,21,23).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
(2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 365.79 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2418216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).