2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide

C15H22FN3O — CID 105413428

IUPAC2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H22FN3O/c1-18(2)15(7-4-8-15)10-19(3)14(20)12-6-5-11(16)9-13(12)17/h5-6,9H,4,7-8,10,17H2,1-3H3
InChIKeyWOJOWJRWBSMPLB-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.96
Rot. Bonds4

About 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide

2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide (PubChem CID 105413428) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
PubChem CID105413428
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H22FN3O/c1-18(2)15(7-4-8-15)10-19(3)14(20)12-6-5-11(16)9-13(12)17/h5-6,9H,4,7-8,10,17H2,1-3H3
InChIKeyWOJOWJRWBSMPLB-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
2-amino-4-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 63110335
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 105416291
4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105417543
2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
CID 105414289
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 55137012
2-amino-4-fluoro-N-methoxy-N-methylbenzamide
CID 63110530
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide (CID 105413428) is 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide is CN(CC1(N(C)C)CCC1)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide?
The InChIKey is WOJOWJRWBSMPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-18(2)15(7-4-8-15)10-19(3)14(20)12-6-5-11(16)9-13(12)17/h5-6,9H,4,7-8,10,17H2,1-3H3.
What are the key properties of 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide?
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide has a molecular weight of 279.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 105413428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).