N-(2-cyanopropan-2-yl)-4-fluorobenzamide

C11H11FN2O — CID 60966958

IUPACN-(2-cyanopropan-2-yl)-4-fluorobenzamide
SMILESCC(C)(C#N)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-11(2,7-13)14-10(15)8-3-5-9(12)6-4-8/h3-6H,1-2H3,(H,14,15)
InChIKeyMTSXPUDYVWHHNQ-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.86
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-4-fluorobenzamide

N-(2-cyanopropan-2-yl)-4-fluorobenzamide (PubChem CID 60966958) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-4-fluorobenzamide
PubChem CID60966958
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC NameN-(2-cyanopropan-2-yl)-4-fluorobenzamide
SMILESCC(C)(C#N)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-11(2,7-13)14-10(15)8-3-5-9(12)6-4-8/h3-6H,1-2H3,(H,14,15)
InChIKeyMTSXPUDYVWHHNQ-UHFFFAOYSA-N
XLogP1.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanopropan-2-yl)-4-methylsulfanylbenzamide
CID 112731227
N-(2-cyanopropan-2-yl)-4-ethylbenzamide
CID 60967523
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
3-bromo-N-(2-cyanopropan-2-yl)-4-methylbenzamide
CID 71865591
2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid
CID 140553951
3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 79795980
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
CID 3916831
N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide
CID 110615037
N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 142264774
3-(5-tert-butyltetrazol-1-yl)-N-(2-cyanopropan-2-yl)-5-(4-fluorophenyl)benzamide
CID 122640848
N'-tert-butyl-4-fluorobenzohydrazide
CID 15617766

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-4-fluorobenzamide (CID 60966958) is N-(2-cyanopropan-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-4-fluorobenzamide is CC(C)(C#N)NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-4-fluorobenzamide?
The InChIKey is MTSXPUDYVWHHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-11(2,7-13)14-10(15)8-3-5-9(12)6-4-8/h3-6H,1-2H3,(H,14,15).
What are the key properties of N-(2-cyanopropan-2-yl)-4-fluorobenzamide?
N-(2-cyanopropan-2-yl)-4-fluorobenzamide has a molecular weight of 206.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 60966958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).