(2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate

C25H21ClN2O7 — CID 42445765

IUPAC(2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H21ClN2O7/c1-33-20-12-17(25(32)35-14-22(29)28-23(30)15-8-4-3-5-9-15)19(13-21(20)34-2)27-24(31)16-10-6-7-11-18(16)26/h3-13H,14H2,1-2H3,(H,27,31)(H,28,29,30)
InChIKeyLBYHDJSAPSCEMD-UHFFFAOYSA-N
MW496.90 g/mol
LogP3.72
Rot. Bonds8

About (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate

(2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate (PubChem CID 42445765) has the molecular formula C25H21ClN2O7 and a molecular weight of 496.90 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
PubChem CID42445765
Molecular FormulaC25H21ClN2O7
Molecular Weight496.90 g/mol
Exact Mass496.10
IUPAC Name(2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H21ClN2O7/c1-33-20-12-17(25(32)35-14-22(29)28-23(30)15-8-4-3-5-9-15)19(13-21(20)34-2)27-24(31)16-10-6-7-11-18(16)26/h3-13H,14H2,1-2H3,(H,27,31)(H,28,29,30)
InChIKeyLBYHDJSAPSCEMD-UHFFFAOYSA-N
XLogP3.72
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.90
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate with MolForge

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445888
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31409809
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
[2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 4844887
[2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445917
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986912
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42980409
(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221163
2-(4-cyanophenoxy)ethyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445805
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986911
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 55311270
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31133315

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate (CID 42445765) is (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate is COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The InChIKey is LBYHDJSAPSCEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O7/c1-33-20-12-17(25(32)35-14-22(29)28-23(30)15-8-4-3-5-9-15)19(13-21(20)34-2)27-24(31)16-10-6-7-11-18(16)26/h3-13H,14H2,1-2H3,(H,27,31)(H,28,29,30).
What are the key properties of (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
(2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate has a molecular weight of 496.90 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 42445765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).