N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide

C17H22F2N2O2 — CID 91646113

IUPACN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1CCN(c2ccccc2OC(F)F)C1
InChIInChI=1S/C17H22F2N2O2/c1-17(2)9-12(17)15(22)20-11-7-8-21(10-11)13-5-3-4-6-14(13)23-16(18)19/h3-6,11-12,16H,7-10H2,1-2H3,(H,20,22)
InChIKeyOEXSFGZZKMXAJQ-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.03
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide

N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 91646113) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID91646113
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1CCN(c2ccccc2OC(F)F)C1
InChIInChI=1S/C17H22F2N2O2/c1-17(2)9-12(17)15(22)20-11-7-8-21(10-11)13-5-3-4-6-14(13)23-16(18)19/h3-6,11-12,16H,7-10H2,1-2H3,(H,20,22)
InChIKeyOEXSFGZZKMXAJQ-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,4R)-N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124858948
N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 124565166
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 56791669
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 95629122
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86963270
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119882938
3-[[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122002641
1-cyclopropyl-3-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-ethylguanidine
CID 111921537
7-amino-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]heptanamide;dihydrochloride
CID 119882877
N-[2-[[N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111921921
1-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111921319
2-(2-acetamidoethylamino)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-methylpropanamide
CID 86815408

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide (CID 91646113) is N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NC1CCN(c2ccccc2OC(F)F)C1.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is OEXSFGZZKMXAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-17(2)9-12(17)15(22)20-11-7-8-21(10-11)13-5-3-4-6-14(13)23-16(18)19/h3-6,11-12,16H,7-10H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 91646113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).