N-cyclobutyl-3-fluoro-2-(propylamino)benzamide

C14H19FN2O — CID 62662485

IUPACN-cyclobutyl-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC1CCC1
InChIInChI=1S/C14H19FN2O/c1-2-9-16-13-11(7-4-8-12(13)15)14(18)17-10-5-3-6-10/h4,7-8,10,16H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyDFYSRGQYEXGLEF-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.93
Rot. Bonds5

About N-cyclobutyl-3-fluoro-2-(propylamino)benzamide

N-cyclobutyl-3-fluoro-2-(propylamino)benzamide (PubChem CID 62662485) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-cyclobutyl-3-fluoro-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-fluoro-2-(propylamino)benzamide
PubChem CID62662485
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-cyclobutyl-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC1CCC1
InChIInChI=1S/C14H19FN2O/c1-2-9-16-13-11(7-4-8-12(13)15)14(18)17-10-5-3-6-10/h4,7-8,10,16H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyDFYSRGQYEXGLEF-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-3-fluoro-N-(4-methylcyclohexyl)benzamide
CID 62650059
2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
CID 62661165
3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499533
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
N-cyclopropyl-3-nitro-2-(propylamino)benzamide
CID 112580551
[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 106673755
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-fluoro-2-(propylamino)benzamide?
The IUPAC name of N-cyclobutyl-3-fluoro-2-(propylamino)benzamide (CID 62662485) is N-cyclobutyl-3-fluoro-2-(propylamino)benzamide.
What is the SMILES notation for N-cyclobutyl-3-fluoro-2-(propylamino)benzamide?
The canonical SMILES for N-cyclobutyl-3-fluoro-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-3-fluoro-2-(propylamino)benzamide?
The InChIKey is DFYSRGQYEXGLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-9-16-13-11(7-4-8-12(13)15)14(18)17-10-5-3-6-10/h4,7-8,10,16H,2-3,5-6,9H2,1H3,(H,17,18).
What are the key properties of N-cyclobutyl-3-fluoro-2-(propylamino)benzamide?
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-fluoro-2-(propylamino)benzamide is sourced from PubChem (CID 62662485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).