4-(cyclohexene-1-carbonylamino)benzoic acid

C14H15NO3 — CID 21486323

IUPAC4-(cyclohexene-1-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)C1=CCCCC1
InChIInChI=1S/C14H15NO3/c16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18/h4,6-9H,1-3,5H2,(H,15,16)(H,17,18)
InChIKeySCNZTZATOSPRED-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.82
Rot. Bonds3

About 4-(cyclohexene-1-carbonylamino)benzoic acid

4-(cyclohexene-1-carbonylamino)benzoic acid (PubChem CID 21486323) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(cyclohexene-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-(cyclohexene-1-carbonylamino)benzoic acid
PubChem CID21486323
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-(cyclohexene-1-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)C1=CCCCC1
InChIInChI=1S/C14H15NO3/c16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18/h4,6-9H,1-3,5H2,(H,15,16)(H,17,18)
InChIKeySCNZTZATOSPRED-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
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4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide
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4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560
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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexene-1-carbonylamino)benzoic acid?
The IUPAC name of 4-(cyclohexene-1-carbonylamino)benzoic acid (CID 21486323) is 4-(cyclohexene-1-carbonylamino)benzoic acid.
What is the SMILES notation for 4-(cyclohexene-1-carbonylamino)benzoic acid?
The canonical SMILES for 4-(cyclohexene-1-carbonylamino)benzoic acid is O=C(Nc1ccc(C(=O)O)cc1)C1=CCCCC1.
What is the InChIKey of 4-(cyclohexene-1-carbonylamino)benzoic acid?
The InChIKey is SCNZTZATOSPRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18/h4,6-9H,1-3,5H2,(H,15,16)(H,17,18).
What are the key properties of 4-(cyclohexene-1-carbonylamino)benzoic acid?
4-(cyclohexene-1-carbonylamino)benzoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexene-1-carbonylamino)benzoic acid is sourced from PubChem (CID 21486323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).