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

C18H18ClNO4 — CID 7951719

IUPAC(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-2-23-16-10-6-4-8-14(16)18(22)20-11-17(21)24-12-13-7-3-5-9-15(13)19/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyDATBAGAAYVLBIF-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.21
Rot. Bonds7

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

(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7951719) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7951719
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-2-23-16-10-6-4-8-14(16)18(22)20-11-17(21)24-12-13-7-3-5-9-15(13)19/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyDATBAGAAYVLBIF-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-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807784
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16526656
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807783
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 34415892
(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of (2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 7951719) is (2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is DATBAGAAYVLBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-2-23-16-10-6-4-8-14(16)18(22)20-11-17(21)24-12-13-7-3-5-9-15(13)19/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of (2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
(2-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 (2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7951719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).