N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide

C16H23FN2O2 — CID 51950559

IUPACN-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1F
InChIInChI=1S/C16H23FN2O2/c1-10(2)8-14(16(21)19(4)5)18-15(20)12-7-6-11(3)13(17)9-12/h6-7,9-10,14H,8H2,1-5H3,(H,18,20)/t14-/m0/s1
InChIKeyLGVNZSDJSNJUQC-AWEZNQCLSA-N
MW294.37 g/mol
LogP2.37
Rot. Bonds5

About N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide

N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide (PubChem CID 51950559) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide
PubChem CID51950559
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1F
InChIInChI=1S/C16H23FN2O2/c1-10(2)8-14(16(21)19(4)5)18-15(20)12-7-6-11(3)13(17)9-12/h6-7,9-10,14H,8H2,1-5H3,(H,18,20)/t14-/m0/s1
InChIKeyLGVNZSDJSNJUQC-AWEZNQCLSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
CID 103706839
4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
CID 43699933
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 42961976
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]pentanedioic acid
CID 61153615
N-(1-chloro-3-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114305513

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide (CID 51950559) is N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1F.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide?
The InChIKey is LGVNZSDJSNJUQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10(2)8-14(16(21)19(4)5)18-15(20)12-7-6-11(3)13(17)9-12/h6-7,9-10,14H,8H2,1-5H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide?
N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 51950559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).