N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide

C14H19FN2O — CID 62660297

IUPACN-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)NCC1CCCC1
InChIInChI=1S/C14H19FN2O/c1-16-13-11(7-4-8-12(13)15)14(18)17-9-10-5-2-3-6-10/h4,7-8,10,16H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyRURWCRGVPWDRRW-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.79
Rot. Bonds4

About N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide

N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide (PubChem CID 62660297) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
PubChem CID62660297
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)NCC1CCCC1
InChIInChI=1S/C14H19FN2O/c1-16-13-11(7-4-8-12(13)15)14(18)17-9-10-5-2-3-6-10/h4,7-8,10,16H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyRURWCRGVPWDRRW-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62856801
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
CID 62650175

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide (CID 62660297) is N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide?
The InChIKey is RURWCRGVPWDRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-16-13-11(7-4-8-12(13)15)14(18)17-9-10-5-2-3-6-10/h4,7-8,10,16H,2-3,5-6,9H2,1H3,(H,17,18).
What are the key properties of N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide?
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 62660297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).