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

C18H18FNO4 — CID 2554022

IUPAC(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO4/c1-2-23-15-9-7-13(8-10-15)18(22)20-11-17(21)24-12-14-5-3-4-6-16(14)19/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyPLZHIXMOEUDNKP-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.70
Rot. Bonds7

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

(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 2554022) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID2554022
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO4/c1-2-23-15-9-7-13(8-10-15)18(22)20-11-17(21)24-12-14-5-3-4-6-16(14)19/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyPLZHIXMOEUDNKP-UHFFFAOYSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8574553
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55305874
N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 31443397
(4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884966
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate
CID 7884840
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 27756575
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35653450
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8943779

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of (2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (CID 2554022) is (2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCc2ccccc2F)cc1.
What is the InChIKey of (2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is PLZHIXMOEUDNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-2-23-15-9-7-13(8-10-15)18(22)20-11-17(21)24-12-14-5-3-4-6-16(14)19/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of (2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 331.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2554022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).