N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide

C14H18FN3O2 — CID 75431578

IUPACN-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide
SMILESCOCC(C)(C#N)NC(=O)c1ccc(N(C)C)cc1F
InChIInChI=1S/C14H18FN3O2/c1-14(8-16,9-20-4)17-13(19)11-6-5-10(18(2)3)7-12(11)15/h5-7H,9H2,1-4H3,(H,17,19)
InChIKeyUWSWWYFUYKKQON-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.55
Rot. Bonds5

About N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide

N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide (PubChem CID 75431578) has the molecular formula C14H18FN3O2 and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide
PubChem CID75431578
Molecular FormulaC14H18FN3O2
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC NameN-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide
SMILESCOCC(C)(C#N)NC(=O)c1ccc(N(C)C)cc1F
InChIInChI=1S/C14H18FN3O2/c1-14(8-16,9-20-4)17-13(19)11-6-5-10(18(2)3)7-12(11)15/h5-7H,9H2,1-4H3,(H,17,19)
InChIKeyUWSWWYFUYKKQON-UHFFFAOYSA-N
XLogP1.55
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-1-methoxypropan-2-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 86781173
4-bromo-N-(2-cyano-1-methoxypropan-2-yl)-2-hydroxybenzamide
CID 75439807
4-(dimethylamino)-2-fluoro-N-[(3R)-1-hydroxy-3-methylpentan-3-yl]benzamide
CID 97340435
N-(2-cyano-1-methoxypropan-2-yl)-2-(trifluoromethoxy)benzamide
CID 75497344
N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide
CID 71849704
4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
4-(dimethylamino)-2-fluoro-N,N-dimethylbenzamide
CID 126768746
N-(2-cyanobutan-2-yl)-2-fluoro-5-methylbenzamide
CID 62514306
4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 97340290
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 97340412
methyl 2-cyano-4-(dimethylamino)benzoate
CID 66909106

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide?
The IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide (CID 75431578) is N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide.
What is the SMILES notation for N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide?
The canonical SMILES for N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide is COCC(C)(C#N)NC(=O)c1ccc(N(C)C)cc1F.
What is the InChIKey of N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide?
The InChIKey is UWSWWYFUYKKQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-14(8-16,9-20-4)17-13(19)11-6-5-10(18(2)3)7-12(11)15/h5-7H,9H2,1-4H3,(H,17,19).
What are the key properties of N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide?
N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide has a molecular weight of 279.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-methoxypropan-2-yl)-4-(dimethylamino)-2-fluorobenzamide is sourced from PubChem (CID 75431578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).