4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide

C15H14F2N2O — CID 154793755

IUPAC4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide
SMILESN#CC1(c2ccc(C(=O)NC3CC(F)(F)C3)cc2)CC1
InChIInChI=1S/C15H14F2N2O/c16-15(17)7-12(8-15)19-13(20)10-1-3-11(4-2-10)14(9-18)5-6-14/h1-4,12H,5-8H2,(H,19,20)
InChIKeyXXTGEYZPLIUBHX-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.77
Rot. Bonds3

About 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide

4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide (PubChem CID 154793755) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide.

Molecular Properties

Compound Name4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide
PubChem CID154793755
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide
SMILESN#CC1(c2ccc(C(=O)NC3CC(F)(F)C3)cc2)CC1
InChIInChI=1S/C15H14F2N2O/c16-15(17)7-12(8-15)19-13(20)10-1-3-11(4-2-10)14(9-18)5-6-14/h1-4,12H,5-8H2,(H,19,20)
InChIKeyXXTGEYZPLIUBHX-UHFFFAOYSA-N
XLogP2.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide
CID 125439753
6-amino-N-(3,3-difluorocyclobutyl)pyridine-3-carboxamide
CID 171037193
3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide
CID 171933111
N-[4-(1-cyanocyclopentyl)phenyl]benzamide
CID 766970
N-(3,3-difluorocyclohexyl)-4-(prop-2-enoylamino)benzamide
CID 166405390
N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
CID 126791351
4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
CID 75446347
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429
4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 102852021
1-[4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]cyclopropane-1-carbonitrile
CID 171962770
5-(1-cyanocyclopropyl)-2-methylbenzoic acid
CID 70845731
N-(3,3-difluorocyclobutyl)-2-ethynyl-3-methylbenzamide
CID 169452053

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide?
The IUPAC name of 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide (CID 154793755) is 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide.
What is the SMILES notation for 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide?
The canonical SMILES for 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide is N#CC1(c2ccc(C(=O)NC3CC(F)(F)C3)cc2)CC1.
What is the InChIKey of 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide?
The InChIKey is XXTGEYZPLIUBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-15(17)7-12(8-15)19-13(20)10-1-3-11(4-2-10)14(9-18)5-6-14/h1-4,12H,5-8H2,(H,19,20).
What are the key properties of 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide?
4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide has a molecular weight of 276.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide is sourced from PubChem (CID 154793755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).