methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate

C18H18ClNO6 — CID 15406018

IUPACmethyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO6/c1-23-13-9-12(18(22)26-4)14(16(25-3)15(13)24-2)20-17(21)10-5-7-11(19)8-6-10/h5-9H,1-4H3,(H,20,21)
InChIKeyHVZWWZANZIMOKD-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.40
Rot. Bonds6

About methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate

methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate (PubChem CID 15406018) has the molecular formula C18H18ClNO6 and a molecular weight of 379.80 g/mol. Its IUPAC name is methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate
PubChem CID15406018
Molecular FormulaC18H18ClNO6
Molecular Weight379.80 g/mol
Exact Mass379.08
IUPAC Namemethyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO6/c1-23-13-9-12(18(22)26-4)14(16(25-3)15(13)24-2)20-17(21)10-5-7-11(19)8-6-10/h5-9H,1-4H3,(H,20,21)
InChIKeyHVZWWZANZIMOKD-UHFFFAOYSA-N
XLogP3.40
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]-3,4,5-trimethoxybenzoate
CID 2799262
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55881315
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
2-[(4-chlorobenzoyl)amino]-3-methoxybenzamide
CID 90202953
4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
CID 14791088
methyl 3,4,5-trimethoxy-2-[[3-nitro-4-(2,2,3,3-tetrafluoropropoxy)benzoyl]amino]benzoate
CID 132835456
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide
CID 102339440

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate?
The IUPAC name of methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate (CID 15406018) is methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate.
What is the SMILES notation for methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate?
The canonical SMILES for methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate is COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate?
The InChIKey is HVZWWZANZIMOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO6/c1-23-13-9-12(18(22)26-4)14(16(25-3)15(13)24-2)20-17(21)10-5-7-11(19)8-6-10/h5-9H,1-4H3,(H,20,21).
What are the key properties of methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate?
methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate has a molecular weight of 379.80 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate is sourced from PubChem (CID 15406018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).