4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid

C19H19NO3 — CID 933525

IUPAC4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C19H19NO3/c21-17(22)14-8-10-16(11-9-14)20-18(23)19(12-4-5-13-19)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,20,23)(H,21,22)
InChIKeyHRUJGXJWRAYFQA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.84
Rot. Bonds4

About 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid

4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid (PubChem CID 933525) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid
PubChem CID933525
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C19H19NO3/c21-17(22)14-8-10-16(11-9-14)20-18(23)19(12-4-5-13-19)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,20,23)(H,21,22)
InChIKeyHRUJGXJWRAYFQA-UHFFFAOYSA-N
XLogP3.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid?
The IUPAC name of 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid (CID 933525) is 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1.
What is the InChIKey of 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid?
The InChIKey is HRUJGXJWRAYFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-17(22)14-8-10-16(11-9-14)20-18(23)19(12-4-5-13-19)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,20,23)(H,21,22).
What are the key properties of 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid?
4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 933525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).