3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide

C14H18F2N2O — CID 79773242

IUPAC3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H18F2N2O/c1-18(8-9-4-2-3-5-9)14(19)12-10(15)6-7-11(17)13(12)16/h6-7,9H,2-5,8,17H2,1H3
InChIKeyJHJSPNTVVSKDQZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.81
Rot. Bonds3

About 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide

3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide (PubChem CID 79773242) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide
PubChem CID79773242
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H18F2N2O/c1-18(8-9-4-2-3-5-9)14(19)12-10(15)6-7-11(17)13(12)16/h6-7,9H,2-5,8,17H2,1H3
InChIKeyJHJSPNTVVSKDQZ-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.81
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

4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
methyl 2-[(3-amino-2,6-difluorobenzoyl)-methylamino]acetate
CID 79773010
3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 79759555
3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79772944
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79759421
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
N-[(3-bromocyclobutyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide
CID 82815478
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 79759533
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide (CID 79773242) is 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide is CN(CC1CCCC1)C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide?
The InChIKey is JHJSPNTVVSKDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-18(8-9-4-2-3-5-9)14(19)12-10(15)6-7-11(17)13(12)16/h6-7,9H,2-5,8,17H2,1H3.
What are the key properties of 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide?
3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 79773242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).