N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide

C13H19FN2O — CID 2225924

IUPACN-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
SMILESC[C@@H](CNC(=O)c1ccc(F)cc1)CN(C)C
InChIInChI=1S/C13H19FN2O/c1-10(9-16(2)3)8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyBUOZFSYZDODZPO-JTQLQIEISA-N
MW238.31 g/mol
LogP1.75
Rot. Bonds5

About N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide

N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide (PubChem CID 2225924) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
PubChem CID2225924
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
SMILESC[C@@H](CNC(=O)c1ccc(F)cc1)CN(C)C
InChIInChI=1S/C13H19FN2O/c1-10(9-16(2)3)8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyBUOZFSYZDODZPO-JTQLQIEISA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
CID 143916068
N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide
CID 123280491
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
ethylcyclopropane;4-fluoro-N-[2-methyl-4-(methylamino)butyl]benzamide
CID 143916067
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
CID 81066397
4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
CID 81064641
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide?
The IUPAC name of N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide (CID 2225924) is N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide is C[C@@H](CNC(=O)c1ccc(F)cc1)CN(C)C.
What is the InChIKey of N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide?
The InChIKey is BUOZFSYZDODZPO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(9-16(2)3)8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide?
N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide is sourced from PubChem (CID 2225924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).