2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid

C18H15NO7 — CID 7209741

IUPAC2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C18H15NO7/c1-25-17(23)10-7-8-13(18(24)26-2)14(9-10)19-15(20)11-5-3-4-6-12(11)16(21)22/h3-9H,1-2H3,(H,19,20)(H,21,22)
InChIKeyBMPDCNMVHSRXKO-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.21
Rot. Bonds5

About 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid

2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid (PubChem CID 7209741) has the molecular formula C18H15NO7 and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
PubChem CID7209741
Molecular FormulaC18H15NO7
Molecular Weight357.32 g/mol
Exact Mass357.08
IUPAC Name2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C18H15NO7/c1-25-17(23)10-7-8-13(18(24)26-2)14(9-10)19-15(20)11-5-3-4-6-12(11)16(21)22/h3-9H,1-2H3,(H,19,20)(H,21,22)
InChIKeyBMPDCNMVHSRXKO-UHFFFAOYSA-N
XLogP2.21
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate
CID 986664
2-acetamido-4-methoxycarbonylbenzoic acid
CID 131862461
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
dimethyl 2-[(2-propylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 17224739
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
ethane;4-methoxycarbonylphthalic acid
CID 143938031
dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate
CID 110691213
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503
dimethyl 2-(2-phenylsulfanylpropanoylamino)benzene-1,4-dicarboxylate
CID 2957921

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid (CID 7209741) is 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is BMPDCNMVHSRXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO7/c1-25-17(23)10-7-8-13(18(24)26-2)14(9-10)19-15(20)11-5-3-4-6-12(11)16(21)22/h3-9H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid?
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 357.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 7209741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).