3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide

C15H21F2N3O — CID 79759421

IUPAC3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
SMILESCN(CCNC(=O)c1c(F)ccc(N)c1F)C1CCCC1
InChIInChI=1S/C15H21F2N3O/c1-20(10-4-2-3-5-10)9-8-19-15(21)13-11(16)6-7-12(18)14(13)17/h6-7,10H,2-5,8-9,18H2,1H3,(H,19,21)
InChIKeyYCAYHNQEIJDJAH-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.15
Rot. Bonds5

About 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide

3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide (PubChem CID 79759421) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
PubChem CID79759421
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
SMILESCN(CCNC(=O)c1c(F)ccc(N)c1F)C1CCCC1
InChIInChI=1S/C15H21F2N3O/c1-20(10-4-2-3-5-10)9-8-19-15(21)13-11(16)6-7-12(18)14(13)17/h6-7,10H,2-5,8-9,18H2,1H3,(H,19,21)
InChIKeyYCAYHNQEIJDJAH-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
CID 63314478
3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
3-amino-N-cyclopentyl-2,6-difluorobenzamide
CID 79768023
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide
CID 79773242
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386266
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide
CID 86797686

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide (CID 79759421) is 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide is CN(CCNC(=O)c1c(F)ccc(N)c1F)C1CCCC1.
What is the InChIKey of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide?
The InChIKey is YCAYHNQEIJDJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-20(10-4-2-3-5-10)9-8-19-15(21)13-11(16)6-7-12(18)14(13)17/h6-7,10H,2-5,8-9,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide?
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide has a molecular weight of 297.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 79759421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).