2-(benzylcarbamoylamino)benzoic acid

C15H14N2O3 — CID 45267877

IUPAC2-(benzylcarbamoylamino)benzoic acid
SMILESO=C(NCc1ccccc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)
InChIKeyQCLRLHJAKXQKSY-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.71
Rot. Bonds4

About 2-(benzylcarbamoylamino)benzoic acid

2-(benzylcarbamoylamino)benzoic acid (PubChem CID 45267877) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)benzoic acid
PubChem CID45267877
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(benzylcarbamoylamino)benzoic acid
SMILESO=C(NCc1ccccc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)
InChIKeyQCLRLHJAKXQKSY-UHFFFAOYSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)benzoic acid?
The IUPAC name of 2-(benzylcarbamoylamino)benzoic acid (CID 45267877) is 2-(benzylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-(benzylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-(benzylcarbamoylamino)benzoic acid is O=C(NCc1ccccc1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(benzylcarbamoylamino)benzoic acid?
The InChIKey is QCLRLHJAKXQKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(benzylcarbamoylamino)benzoic acid?
2-(benzylcarbamoylamino)benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)benzoic acid is sourced from PubChem (CID 45267877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).