(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

C19H20FNO5 — CID 8662119

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccc(OC)c(F)c1
InChIInChI=1S/C19H20FNO5/c1-3-25-16-7-5-4-6-14(16)19(23)21-11-18(22)26-12-13-8-9-17(24-2)15(20)10-13/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyDYCTURPEMXFVPV-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.71
Rot. Bonds8

About (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 8662119) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID8662119
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1ccc(OC)c(F)c1
InChIInChI=1S/C19H20FNO5/c1-3-25-16-7-5-4-6-14(16)19(23)21-11-18(22)26-12-13-8-9-17(24-2)15(20)10-13/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyDYCTURPEMXFVPV-UHFFFAOYSA-N
XLogP2.71
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807725
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796966
(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16571120
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807837
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42459438

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 8662119) is (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1ccc(OC)c(F)c1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is DYCTURPEMXFVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-3-25-16-7-5-4-6-14(16)19(23)21-11-18(22)26-12-13-8-9-17(24-2)15(20)10-13/h4-10H,3,11-12H2,1-2H3,(H,21,23).
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 361.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 8662119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).