methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate

C23H20ClNO5 — CID 100749996

IUPACmethyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1
InChIInChI=1S/C23H20ClNO5/c1-28-21-11-10-16(23(27)29-2)13-20(21)25-22(26)15-7-5-8-18(12-15)30-14-17-6-3-4-9-19(17)24/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyMCFLWAJEBPKFEO-UHFFFAOYSA-N
MW425.87 g/mol
LogP4.97
Rot. Bonds7

About methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate

methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate (PubChem CID 100749996) has the molecular formula C23H20ClNO5 and a molecular weight of 425.87 g/mol. Its IUPAC name is methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate
PubChem CID100749996
Molecular FormulaC23H20ClNO5
Molecular Weight425.87 g/mol
Exact Mass425.10
IUPAC Namemethyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1
InChIInChI=1S/C23H20ClNO5/c1-28-21-11-10-16(23(27)29-2)13-20(21)25-22(26)15-7-5-8-18(12-15)30-14-17-6-3-4-9-19(17)24/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyMCFLWAJEBPKFEO-UHFFFAOYSA-N
XLogP4.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
CID 100633924
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 100750034
N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738693
3-[(2-chlorophenyl)methoxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 30155682
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide
CID 100749756
3-[(2-chlorophenyl)methoxy]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100735661
methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 55445792

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate?
The IUPAC name of methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate (CID 100749996) is methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1.
What is the InChIKey of methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate?
The InChIKey is MCFLWAJEBPKFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO5/c1-28-21-11-10-16(23(27)29-2)13-20(21)25-22(26)15-7-5-8-18(12-15)30-14-17-6-3-4-9-19(17)24/h3-13H,14H2,1-2H3,(H,25,26).
What are the key properties of methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate?
methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate has a molecular weight of 425.87 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate is sourced from PubChem (CID 100749996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).