2-(4-phenylanilino)cyclobutane-1-carboxylic acid

C17H17NO2 — CID 103230394

IUPAC2-(4-phenylanilino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c19-17(20)15-10-11-16(15)18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,18H,10-11H2,(H,19,20)
InChIKeyZCZRQMKRCYHCRE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-phenylanilino)cyclobutane-1-carboxylic acid

2-(4-phenylanilino)cyclobutane-1-carboxylic acid (PubChem CID 103230394) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-phenylanilino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenylanilino)cyclobutane-1-carboxylic acid
PubChem CID103230394
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(4-phenylanilino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c19-17(20)15-10-11-16(15)18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,18H,10-11H2,(H,19,20)
InChIKeyZCZRQMKRCYHCRE-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid
CID 103232769
2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid
CID 84724767
2-(3-bromoanilino)cyclobutane-1-carboxylic acid
CID 103234478
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
2-(3-bromo-4-methylanilino)cyclobutane-1-carboxylic acid
CID 103251380
N-cyclopropyl-4-phenylaniline
CID 83702708
2-[4-methyl-3-(trifluoromethyl)anilino]cyclobutane-1-carboxylic acid
CID 103246962
2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid
CID 64817627
2-[4-bromo-3-(trifluoromethyl)anilino]cyclobutane-1-carboxylic acid
CID 103254014
2-(2-cyanoanilino)cyclobutane-1-carboxylic acid
CID 103234319
1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylanilino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(4-phenylanilino)cyclobutane-1-carboxylic acid (CID 103230394) is 2-(4-phenylanilino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(4-phenylanilino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(4-phenylanilino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylanilino)cyclobutane-1-carboxylic acid?
The InChIKey is ZCZRQMKRCYHCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)15-10-11-16(15)18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,18H,10-11H2,(H,19,20).
What are the key properties of 2-(4-phenylanilino)cyclobutane-1-carboxylic acid?
2-(4-phenylanilino)cyclobutane-1-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylanilino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103230394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).