2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide

C14H22F2N2O — CID 125448539

IUPAC2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(C[C@@H]1CC1(F)F)NCC1(CN2CCCC2)CC1
InChIInChI=1S/C14H22F2N2O/c15-14(16)8-11(14)7-12(19)17-9-13(3-4-13)10-18-5-1-2-6-18/h11H,1-10H2,(H,17,19)/t11-/m1/s1
InChIKeyFRPFVLUTQKWLBP-LLVKDONJSA-N
MW272.34 g/mol
LogP2.02
Rot. Bonds6

About 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide

2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide (PubChem CID 125448539) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide
PubChem CID125448539
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(C[C@@H]1CC1(F)F)NCC1(CN2CCCC2)CC1
InChIInChI=1S/C14H22F2N2O/c15-14(16)8-11(14)7-12(19)17-9-13(3-4-13)10-18-5-1-2-6-18/h11H,1-10H2,(H,17,19)/t11-/m1/s1
InChIKeyFRPFVLUTQKWLBP-LLVKDONJSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 125445510
2-(2,2-difluorocyclopropyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 122568972
formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide
CID 154907115
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756110
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 118788413
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
CID 115456501
3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
CID 91957130
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 91957399
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91957211
2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide
CID 122571339
1-[[1-(bromomethyl)cyclopropyl]methyl]azepane
CID 65013717
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
CID 119896490

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide (CID 125448539) is 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide is O=C(C[C@@H]1CC1(F)F)NCC1(CN2CCCC2)CC1.
What is the InChIKey of 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide?
The InChIKey is FRPFVLUTQKWLBP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22F2N2O/c15-14(16)8-11(14)7-12(19)17-9-13(3-4-13)10-18-5-1-2-6-18/h11H,1-10H2,(H,17,19)/t11-/m1/s1.
What are the key properties of 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide?
2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide has a molecular weight of 272.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 125448539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).