(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

C18H18ClNO4 — CID 7807819

IUPAC(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-2-23-16-6-4-3-5-15(16)18(22)20-11-17(21)24-12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyKHUQIYPVSBHJSB-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.21
Rot. Bonds7

About (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7807819) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7807819
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-2-23-16-6-4-3-5-15(16)18(22)20-11-17(21)24-12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyKHUQIYPVSBHJSB-UHFFFAOYSA-N
XLogP3.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119
(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16571120
(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16526656
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548014
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4787088
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548139
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 34415892

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 7807819) is (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is KHUQIYPVSBHJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-2-23-16-6-4-3-5-15(16)18(22)20-11-17(21)24-12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 347.80 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7807819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).