3-[(3-phenylphenyl)carbamoylamino]benzoic acid

C20H16N2O3 — CID 121493966

IUPAC3-[(3-phenylphenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25)
InChIKeyFMMGJYWGPFRVFI-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.70
Rot. Bonds4

About 3-[(3-phenylphenyl)carbamoylamino]benzoic acid

3-[(3-phenylphenyl)carbamoylamino]benzoic acid (PubChem CID 121493966) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[(3-phenylphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(3-phenylphenyl)carbamoylamino]benzoic acid
PubChem CID121493966
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-[(3-phenylphenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25)
InChIKeyFMMGJYWGPFRVFI-UHFFFAOYSA-N
XLogP4.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-[(3-phenylphenyl)carbamoylamino]benzoic acid (CID 121493966) is 3-[(3-phenylphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(3-phenylphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-[(3-phenylphenyl)carbamoylamino]benzoic acid is O=C(Nc1cccc(C(=O)O)c1)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-[(3-phenylphenyl)carbamoylamino]benzoic acid?
The InChIKey is FMMGJYWGPFRVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25).
What are the key properties of 3-[(3-phenylphenyl)carbamoylamino]benzoic acid?
3-[(3-phenylphenyl)carbamoylamino]benzoic acid has a molecular weight of 332.36 g/mol, XLogP of 4.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 121493966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).