1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

C14H16FNO3 — CID 115445182

IUPAC1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1cccc(C(=O)NCC2(C(=O)O)CCC2)c1F
InChIInChI=1S/C14H16FNO3/c1-9-4-2-5-10(11(9)15)12(17)16-8-14(13(18)19)6-3-7-14/h2,4-5H,3,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyGISODOBISSUTGC-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.12
Rot. Bonds4

About 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445182) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445182
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1cccc(C(=O)NCC2(C(=O)O)CCC2)c1F
InChIInChI=1S/C14H16FNO3/c1-9-4-2-5-10(11(9)15)12(17)16-8-14(13(18)19)6-3-7-14/h2,4-5H,3,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyGISODOBISSUTGC-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623
1-[[(2-chloro-3-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435717
1-[[(2-methyl-3-nitrobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369460
1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432966
1-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107013778
2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 80710754
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115445182) is 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is Cc1cccc(C(=O)NCC2(C(=O)O)CCC2)c1F.
What is the InChIKey of 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is GISODOBISSUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9-4-2-5-10(11(9)15)12(17)16-8-14(13(18)19)6-3-7-14/h2,4-5H,3,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).