methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate

C23H20N2O4 — CID 112762906

IUPACmethyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-15-6-5-7-17(14-15)21(26)25-20-9-4-3-8-19(20)22(27)24-18-12-10-16(11-13-18)23(28)29-2/h3-14H,1-2H3,(H,24,27)(H,25,26)
InChIKeyHHSOIFXNTPJQDA-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.29
Rot. Bonds5

About methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate

methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate (PubChem CID 112762906) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
PubChem CID112762906
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-15-6-5-7-17(14-15)21(26)25-20-9-4-3-8-19(20)22(27)24-18-12-10-16(11-13-18)23(28)29-2/h3-14H,1-2H3,(H,24,27)(H,25,26)
InChIKeyHHSOIFXNTPJQDA-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 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 52636365
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 1089815
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide
CID 78775101
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate (CID 112762906) is methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate?
The InChIKey is HHSOIFXNTPJQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-6-5-7-17(14-15)21(26)25-20-9-4-3-8-19(20)22(27)24-18-12-10-16(11-13-18)23(28)29-2/h3-14H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate?
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]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 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate is sourced from PubChem (CID 112762906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).