4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide

C15H22FN3O — CID 83107917

IUPAC4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(N)cc2F)CCCC1
InChIInChI=1S/C15H22FN3O/c1-19(2)15(7-3-4-8-15)10-18-14(20)12-6-5-11(17)9-13(12)16/h5-6,9H,3-4,7-8,10,17H2,1-2H3,(H,18,20)
InChIKeyLHUGCIKDIMTDRY-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.01
Rot. Bonds4

About 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide

4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide (PubChem CID 83107917) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
PubChem CID83107917
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(N)cc2F)CCCC1
InChIInChI=1S/C15H22FN3O/c1-19(2)15(7-3-4-8-15)10-18-14(20)12-6-5-11(17)9-13(12)16/h5-6,9H,3-4,7-8,10,17H2,1-2H3,(H,18,20)
InChIKeyLHUGCIKDIMTDRY-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.01
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

4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
CID 18165149
1-[[(4-amino-2-fluorobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107794783
4-amino-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117447
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
CID 105420369
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
CID 105416225
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide
CID 102705855
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide?
The IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide (CID 83107917) is 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide is CN(C)C1(CNC(=O)c2ccc(N)cc2F)CCCC1.
What is the InChIKey of 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide?
The InChIKey is LHUGCIKDIMTDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-19(2)15(7-3-4-8-15)10-18-14(20)12-6-5-11(17)9-13(12)16/h5-6,9H,3-4,7-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide?
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide has a molecular weight of 279.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 83107917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).