3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate

C24H18N2O6-2 — CID 6982314

IUPAC3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate
SMILESCc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1
InChIInChI=1S/C24H20N2O6/c1-13-6-8-17(23(29)30)11-19(13)25-21(27)15-4-3-5-16(10-15)22(28)26-20-12-18(24(31)32)9-7-14(20)2/h3-12H,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/p-2
InChIKeyWYYBGYRMWUDKDN-UHFFFAOYSA-L
MW430.42 g/mol
LogP1.54
Rot. Bonds6

About 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate

3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate (PubChem CID 6982314) has the molecular formula C24H18N2O6-2 and a molecular weight of 430.42 g/mol. Its IUPAC name is 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Name3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate
PubChem CID6982314
Molecular FormulaC24H18N2O6-2
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Name3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate
SMILESCc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1
InChIInChI=1S/C24H20N2O6/c1-13-6-8-17(23(29)30)11-19(13)25-21(27)15-4-3-5-16(10-15)22(28)26-20-12-18(24(31)32)9-7-14(20)2/h3-12H,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/p-2
InChIKeyWYYBGYRMWUDKDN-UHFFFAOYSA-L
XLogP1.54
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 7365047
4-methyl-3-(thiophene-2-carbonylamino)benzoate
CID 5122270
3-benzamido-N,4-dimethylbenzamide
CID 17226324
4-methyl-3-(propanoylamino)benzoate
CID 4745923
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 46411335
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
ethyl 3-[(3-aminobenzoyl)amino]-4-methylbenzoate
CID 154574450

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate?
The IUPAC name of 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate (CID 6982314) is 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate.
What is the SMILES notation for 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate?
The canonical SMILES for 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate is Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1.
What is the InChIKey of 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate?
The InChIKey is WYYBGYRMWUDKDN-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H20N2O6/c1-13-6-8-17(23(29)30)11-19(13)25-21(27)15-4-3-5-16(10-15)22(28)26-20-12-18(24(31)32)9-7-14(20)2/h3-12H,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/p-2.
What are the key properties of 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate?
3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate has a molecular weight of 430.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 6982314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).