4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid

C19H18FNO3 — CID 136558020

IUPAC4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H18FNO3/c20-17-7-5-13(6-8-17)15-9-16(10-15)18(22)21-11-12-1-3-14(4-2-12)19(23)24/h1-8,15-16H,9-11H2,(H,21,22)(H,23,24)
InChIKeyRKHMMBIRAQQMTL-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.33
Rot. Bonds5

About 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid

4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid (PubChem CID 136558020) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
PubChem CID136558020
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)C2CC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H18FNO3/c20-17-7-5-13(6-8-17)15-9-16(10-15)18(22)21-11-12-1-3-14(4-2-12)19(23)24/h1-8,15-16H,9-11H2,(H,21,22)(H,23,24)
InChIKeyRKHMMBIRAQQMTL-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

3-[(4-fluorophenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6470275
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
4-[[(3,3-dibromocyclobutanecarbonyl)amino]methyl]benzoic acid
CID 167797220
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
3-[(4-fluorophenyl)methylcarbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 6466809
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid (CID 136558020) is 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)C2CC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid?
The InChIKey is RKHMMBIRAQQMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-17-7-5-13(6-8-17)15-9-16(10-15)18(22)21-11-12-1-3-14(4-2-12)19(23)24/h1-8,15-16H,9-11H2,(H,21,22)(H,23,24).
What are the key properties of 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid?
4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid has a molecular weight of 327.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-fluorophenyl)cyclobutanecarbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 136558020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).