methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate

C23H20N2O4 — CID 52636365

IUPACmethyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C23H20N2O4/c1-15-7-5-10-18(13-15)24-22(27)19-11-3-4-12-20(19)25-21(26)16-8-6-9-17(14-16)23(28)29-2/h3-14H,1-2H3,(H,24,27)(H,25,26)
InChIKeyJEJFRJGIRYECFH-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.29
Rot. Bonds5

About methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate

methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate (PubChem CID 52636365) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
PubChem CID52636365
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C23H20N2O4/c1-15-7-5-10-18(13-15)24-22(27)19-11-3-4-12-20(19)25-21(26)16-8-6-9-17(14-16)23(28)29-2/h3-14H,1-2H3,(H,24,27)(H,25,26)
InChIKeyJEJFRJGIRYECFH-UHFFFAOYSA-N
XLogP4.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
methyl 3-[[3-[(2-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057734
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate (CID 52636365) is methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate?
The InChIKey is JEJFRJGIRYECFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-7-5-10-18(13-15)24-22(27)19-11-3-4-12-20(19)25-21(26)16-8-6-9-17(14-16)23(28)29-2/h3-14H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate?
methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate has a molecular weight of 388.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 52636365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).