2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide

C13H17FN2O — CID 63110420

IUPAC2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H17FN2O/c1-16(8-9-3-2-4-9)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,2-4,8,15H2,1H3
InChIKeyIEJRLIRJZUDQAZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide

2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide (PubChem CID 63110420) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
PubChem CID63110420
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H17FN2O/c1-16(8-9-3-2-4-9)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,2-4,8,15H2,1H3
InChIKeyIEJRLIRJZUDQAZ-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 62861010
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
CID 105413428
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide (CID 63110420) is 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide is CN(CC1CCC1)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide?
The InChIKey is IEJRLIRJZUDQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(8-9-3-2-4-9)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,2-4,8,15H2,1H3.
What are the key properties of 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide?
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 63110420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).