methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate

C23H20ClNO6 — CID 55772777

IUPACmethyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)ccc1OC
InChIInChI=1S/C23H20ClNO6/c1-28-20-12-7-15(13-21(20)30-14-22(26)29-2)23(27)25-16-8-10-17(11-9-16)31-19-6-4-3-5-18(19)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyHYYQFRQDOJSSOY-UHFFFAOYSA-N
MW441.87 g/mol
LogP4.95
Rot. Bonds8

About methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55772777) has the molecular formula C23H20ClNO6 and a molecular weight of 441.87 g/mol. Its IUPAC name is methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55772777
Molecular FormulaC23H20ClNO6
Molecular Weight441.87 g/mol
Exact Mass441.10
IUPAC Namemethyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)ccc1OC
InChIInChI=1S/C23H20ClNO6/c1-28-20-12-7-15(13-21(20)30-14-22(26)29-2)23(27)25-16-8-10-17(11-9-16)31-19-6-4-3-5-18(19)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyHYYQFRQDOJSSOY-UHFFFAOYSA-N
XLogP4.95
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate
CID 70984916
methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55771551
N-[4-(2-chlorophenoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 30291841
N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986928
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
CID 46649852
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate (CID 55772777) is methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)ccc1OC.
What is the InChIKey of methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is HYYQFRQDOJSSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO6/c1-28-20-12-7-15(13-21(20)30-14-22(26)29-2)23(27)25-16-8-10-17(11-9-16)31-19-6-4-3-5-18(19)24/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 441.87 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55772777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).