2-[(4-carboxylatophenyl)carbamoyl]benzoate

C15H9NO5-2 — CID 6936041

IUPAC2-[(4-carboxylatophenyl)carbamoyl]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C15H11NO5/c17-13(11-3-1-2-4-12(11)15(20)21)16-10-7-5-9(6-8-10)14(18)19/h1-8H,(H,16,17)(H,18,19)(H,20,21)/p-2
InChIKeyDGZLMOPIPKVXCI-UHFFFAOYSA-L
MW283.24 g/mol
LogP-0.33
Rot. Bonds4

About 2-[(4-carboxylatophenyl)carbamoyl]benzoate

2-[(4-carboxylatophenyl)carbamoyl]benzoate (PubChem CID 6936041) has the molecular formula C15H9NO5-2 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-[(4-carboxylatophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(4-carboxylatophenyl)carbamoyl]benzoate
PubChem CID6936041
Molecular FormulaC15H9NO5-2
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name2-[(4-carboxylatophenyl)carbamoyl]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C15H11NO5/c17-13(11-3-1-2-4-12(11)15(20)21)16-10-7-5-9(6-8-10)14(18)19/h1-8H,(H,16,17)(H,18,19)(H,20,21)/p-2
InChIKeyDGZLMOPIPKVXCI-UHFFFAOYSA-L
XLogP-0.33
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 6980203
4-(phenylcarbamoyl)benzoate
CID 158012761
2-[(3,4-dichlorophenyl)carbamoyl]benzoate
CID 5106258
trisodium;2-[[4-(phosphonatomethyl)phenyl]carbamoyl]benzoate
CID 59817031
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
CID 155766667
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-[(3-carbamoylphenyl)carbamoyl]benzoate
CID 3545155
trisodium;4-[[3,5-bis[(4-carboxylatophenyl)carbamoyl]benzoyl]amino]benzoate
CID 144812184
2-[[4-(diaminomethylideneazaniumylsulfonyl)phenyl]carbamoyl]benzoate
CID 5084186
2-[(4-hexoxycarbonylphenyl)carbamoyl]benzoate
CID 3544823
4-[[2-(3-methylbutanoylamino)benzoyl]amino]benzoate
CID 4050066
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carboxylatophenyl)carbamoyl]benzoate?
The IUPAC name of 2-[(4-carboxylatophenyl)carbamoyl]benzoate (CID 6936041) is 2-[(4-carboxylatophenyl)carbamoyl]benzoate.
What is the SMILES notation for 2-[(4-carboxylatophenyl)carbamoyl]benzoate?
The canonical SMILES for 2-[(4-carboxylatophenyl)carbamoyl]benzoate is O=C([O-])c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[(4-carboxylatophenyl)carbamoyl]benzoate?
The InChIKey is DGZLMOPIPKVXCI-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11NO5/c17-13(11-3-1-2-4-12(11)15(20)21)16-10-7-5-9(6-8-10)14(18)19/h1-8H,(H,16,17)(H,18,19)(H,20,21)/p-2.
What are the key properties of 2-[(4-carboxylatophenyl)carbamoyl]benzoate?
2-[(4-carboxylatophenyl)carbamoyl]benzoate has a molecular weight of 283.24 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carboxylatophenyl)carbamoyl]benzoate is sourced from PubChem (CID 6936041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).