methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate

C19H19ClN2O7 — CID 55429549

IUPACmethyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1
InChIInChI=1S/C19H19ClN2O7/c1-26-14-7-11(8-15(27-2)17(14)29-9-16(21)23)18(24)22-13-6-10(19(25)28-3)4-5-12(13)20/h4-8H,9H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyPZGRBDVRSXIXHU-UHFFFAOYSA-N
MW422.82 g/mol
LogP2.26
Rot. Bonds8

About methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate

methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate (PubChem CID 55429549) has the molecular formula C19H19ClN2O7 and a molecular weight of 422.82 g/mol. Its IUPAC name is methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate
PubChem CID55429549
Molecular FormulaC19H19ClN2O7
Molecular Weight422.82 g/mol
Exact Mass422.09
IUPAC Namemethyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1
InChIInChI=1S/C19H19ClN2O7/c1-26-14-7-11(8-15(27-2)17(14)29-9-16(21)23)18(24)22-13-6-10(19(25)28-3)4-5-12(13)20/h4-8H,9H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyPZGRBDVRSXIXHU-UHFFFAOYSA-N
XLogP2.26
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
4-(2-amino-2-oxoethoxy)-N-(2,4-dimethylphenyl)-3,5-dimethoxybenzamide
CID 9243234
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide
CID 24614219
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55535206
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
CID 28723647
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9247227
methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 92679714
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate (CID 55429549) is methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1.
What is the InChIKey of methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate?
The InChIKey is PZGRBDVRSXIXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O7/c1-26-14-7-11(8-15(27-2)17(14)29-9-16(21)23)18(24)22-13-6-10(19(25)28-3)4-5-12(13)20/h4-8H,9H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate?
methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate has a molecular weight of 422.82 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate is sourced from PubChem (CID 55429549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).