3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid

C14H16FNO3 — CID 154763620

IUPAC3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid
SMILESCc1cc(F)ccc1C(=O)N(C)C1CC(C(=O)O)C1
InChIInChI=1S/C14H16FNO3/c1-8-5-10(15)3-4-12(8)13(17)16(2)11-6-9(7-11)14(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,18,19)
InChIKeyCBHTYNRYOFEMCM-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.07
Rot. Bonds3

About 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid

3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid (PubChem CID 154763620) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid
PubChem CID154763620
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid
SMILESCc1cc(F)ccc1C(=O)N(C)C1CC(C(=O)O)C1
InChIInChI=1S/C14H16FNO3/c1-8-5-10(15)3-4-12(8)13(17)16(2)11-6-9(7-11)14(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,18,19)
InChIKeyCBHTYNRYOFEMCM-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-fluoro-N,2-dimethylbenzamide
CID 134704150
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2,4-difluoro-N-methylbenzamide
CID 134704174
4-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzamide
CID 113399934
N-cyclopropyl-4-hydroxy-N,2-dimethylbenzamide
CID 103863729
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid (CID 154763620) is 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid is Cc1cc(F)ccc1C(=O)N(C)C1CC(C(=O)O)C1.
What is the InChIKey of 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is CBHTYNRYOFEMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-8-5-10(15)3-4-12(8)13(17)16(2)11-6-9(7-11)14(18)19/h3-5,9,11H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid?
3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 154763620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).