ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate

C19H20ClNO5 — CID 154145410

IUPACethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C19H20ClNO5/c1-3-25-18(22)12-26-15-7-4-13(5-8-15)11-21-19(23)16-10-14(20)6-9-17(16)24-2/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyQFSTUUMSDGNWRV-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.22
Rot. Bonds8

About ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate

ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate (PubChem CID 154145410) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate
PubChem CID154145410
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Nameethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C19H20ClNO5/c1-3-25-18(22)12-26-15-7-4-13(5-8-15)11-21-19(23)16-10-14(20)6-9-17(16)24-2/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyQFSTUUMSDGNWRV-UHFFFAOYSA-N
XLogP3.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
ethyl 2-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenoxy]acetate
CID 139985258
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108540833
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate
CID 23716993
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
[4-[[3-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931962
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155946391

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate (CID 154145410) is ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate is CCOC(=O)COc1ccc(CNC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate?
The InChIKey is QFSTUUMSDGNWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-3-25-18(22)12-26-15-7-4-13(5-8-15)11-21-19(23)16-10-14(20)6-9-17(16)24-2/h4-10H,3,11-12H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate?
ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate has a molecular weight of 377.82 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate is sourced from PubChem (CID 154145410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).