N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide

C10H16F2N2O — CID 126790713

IUPACN-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide
SMILESO=C(NCC1CCCC1(F)F)N1CCC1
InChIInChI=1S/C10H16F2N2O/c11-10(12)4-1-3-8(10)7-13-9(15)14-5-2-6-14/h8H,1-7H2,(H,13,15)
InChIKeyCJQSNNSOZOLLCK-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.84
Rot. Bonds2

About N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide

N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide (PubChem CID 126790713) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide
PubChem CID126790713
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC NameN-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide
SMILESO=C(NCC1CCCC1(F)F)N1CCC1
InChIInChI=1S/C10H16F2N2O/c11-10(12)4-1-3-8(10)7-13-9(15)14-5-2-6-14/h8H,1-7H2,(H,13,15)
InChIKeyCJQSNNSOZOLLCK-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
CID 164639619
1-Methyl-3-(3-methylcyclopentyl)-1-(2,2,2-trifluoroethyl)urea
CID 68260672
3-(3-Ethylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260685
3,3-difluoro-N-(4-methylcyclohexyl)azetidine-1-carboxamide
CID 89616480
1-(Cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115579831
Ethane;1-methyl-3-(3-methylcyclopentyl)-1-(2,2,2-trifluoroethyl)urea
CID 144220812
1-(2-Cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 55808869
1-(2-Cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 78851185
1-(2-Ethylhexyl)-3-(2,2,2-trifluoroethyl)urea
CID 78858199
1-[(3-Aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 106124916
1-[(3-Methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 107412394
1-[(2-Methylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 107417732

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide?
The IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide (CID 126790713) is N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide is O=C(NCC1CCCC1(F)F)N1CCC1.
What is the InChIKey of N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide?
The InChIKey is CJQSNNSOZOLLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)4-1-3-8(10)7-13-9(15)14-5-2-6-14/h8H,1-7H2,(H,13,15).
What are the key properties of N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide?
N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide has a molecular weight of 218.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopentyl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 126790713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).