ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate

C20H22FNO5 — CID 42959966

IUPACethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)NC(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C20H22FNO5/c1-4-26-19(23)12-27-17-9-8-14(11-18(17)25-3)13(2)22-20(24)15-6-5-7-16(21)10-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyLBVQXAUCTYDHRD-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.27
Rot. Bonds8

About ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate

ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate (PubChem CID 42959966) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
PubChem CID42959966
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Nameethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)NC(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C20H22FNO5/c1-4-26-19(23)12-27-17-9-8-14(11-18(17)25-3)13(2)22-20(24)15-6-5-7-16(21)10-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyLBVQXAUCTYDHRD-UHFFFAOYSA-N
XLogP3.27
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959968
methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate
CID 55881567
4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 134013102
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate (CID 42959966) is ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate is CCOC(=O)COc1ccc(C(C)NC(=O)c2cccc(F)c2)cc1OC.
What is the InChIKey of ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate?
The InChIKey is LBVQXAUCTYDHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5/c1-4-26-19(23)12-27-17-9-8-14(11-18(17)25-3)13(2)22-20(24)15-6-5-7-16(21)10-15/h5-11,13H,4,12H2,1-3H3,(H,22,24).
What are the key properties of ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate?
ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate has a molecular weight of 375.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 42959966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).