4-(cyclobutylamino)-3-fluoro-N-methylbenzamide

C12H15FN2O — CID 174641609

IUPAC4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCC2)c(F)c1
InChIInChI=1S/C12H15FN2O/c1-14-12(16)8-5-6-11(10(13)7-8)15-9-3-2-4-9/h5-7,9,15H,2-4H2,1H3,(H,14,16)
InChIKeyFWMDFEPGXCZELA-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.15
Rot. Bonds3

About 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide

4-(cyclobutylamino)-3-fluoro-N-methylbenzamide (PubChem CID 174641609) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
PubChem CID174641609
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCC2)c(F)c1
InChIInChI=1S/C12H15FN2O/c1-14-12(16)8-5-6-11(10(13)7-8)15-9-3-2-4-9/h5-7,9,15H,2-4H2,1H3,(H,14,16)
InChIKeyFWMDFEPGXCZELA-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 4-(cyclopropylamino)-3-fluorobenzoate
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N,3-dimethyl-4-(oxepan-4-ylamino)benzamide
CID 65081443
4-(cyclopropylamino)-N-methyl-3-sulfamoylbenzamide
CID 67530085
2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
CID 86683687
3-amino-N-methyl-4-[(1-methylpiperidin-3-yl)amino]benzamide
CID 82988709
3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156732
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
CID 43721059
4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride
CID 82253246
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide (CID 174641609) is 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide is CNC(=O)c1ccc(NC2CCC2)c(F)c1.
What is the InChIKey of 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide?
The InChIKey is FWMDFEPGXCZELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-14-12(16)8-5-6-11(10(13)7-8)15-9-3-2-4-9/h5-7,9,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide?
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide has a molecular weight of 222.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 174641609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).