4-(3-carbamoylphenyl)benzoate

C14H10NO3- — CID 86307207

IUPAC4-(3-carbamoylphenyl)benzoate
SMILESNC(=O)c1cccc(-c2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C14H11NO3/c15-13(16)12-3-1-2-11(8-12)9-4-6-10(7-5-9)14(17)18/h1-8H,(H2,15,16)(H,17,18)/p-1
InChIKeyRJUGNNOOCRDGDQ-UHFFFAOYSA-M
MW240.24 g/mol
LogP0.82
Rot. Bonds3

About 4-(3-carbamoylphenyl)benzoate

4-(3-carbamoylphenyl)benzoate (PubChem CID 86307207) has the molecular formula C14H10NO3- and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-(3-carbamoylphenyl)benzoate.

Molecular Properties

Compound Name4-(3-carbamoylphenyl)benzoate
PubChem CID86307207
Molecular FormulaC14H10NO3-
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name4-(3-carbamoylphenyl)benzoate
SMILESNC(=O)c1cccc(-c2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C14H11NO3/c15-13(16)12-3-1-2-11(8-12)9-4-6-10(7-5-9)14(17)18/h1-8H,(H2,15,16)(H,17,18)/p-1
InChIKeyRJUGNNOOCRDGDQ-UHFFFAOYSA-M
XLogP0.82
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoylphenyl)benzoate?
The IUPAC name of 4-(3-carbamoylphenyl)benzoate (CID 86307207) is 4-(3-carbamoylphenyl)benzoate.
What is the SMILES notation for 4-(3-carbamoylphenyl)benzoate?
The canonical SMILES for 4-(3-carbamoylphenyl)benzoate is NC(=O)c1cccc(-c2ccc(C(=O)[O-])cc2)c1.
What is the InChIKey of 4-(3-carbamoylphenyl)benzoate?
The InChIKey is RJUGNNOOCRDGDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11NO3/c15-13(16)12-3-1-2-11(8-12)9-4-6-10(7-5-9)14(17)18/h1-8H,(H2,15,16)(H,17,18)/p-1.
What are the key properties of 4-(3-carbamoylphenyl)benzoate?
4-(3-carbamoylphenyl)benzoate has a molecular weight of 240.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoylphenyl)benzoate is sourced from PubChem (CID 86307207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).