cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide

C18H18F2N2O — CID 95625451

IUPACcis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O/c1-22(9-7-13-4-2-3-8-21-13)18(23)16-11-15(16)14-6-5-12(19)10-17(14)20/h2-6,8,10,15-16H,7,9,11H2,1H3/t15-,16-/m1/s1
InChIKeyKKPYVMJAJSGCNJ-HZPDHXFCSA-N
MW316.35 g/mol
LogP3.16
Rot. Bonds5

About cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide (PubChem CID 95625451) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
PubChem CID95625451
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Namecis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O/c1-22(9-7-13-4-2-3-8-21-13)18(23)16-11-15(16)14-6-5-12(19)10-17(14)20/h2-6,8,10,15-16H,7,9,11H2,1H3/t15-,16-/m1/s1
InChIKeyKKPYVMJAJSGCNJ-HZPDHXFCSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(2,4-difluorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 171701675
N-methyl-4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66267541
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-fluoro-4-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103941324
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 95247432
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
trans-(1S,2S)-2-(furan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 97314930

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide (CID 95625451) is cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide is CN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F.
What is the InChIKey of cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is KKPYVMJAJSGCNJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-22(9-7-13-4-2-3-8-21-13)18(23)16-11-15(16)14-6-5-12(19)10-17(14)20/h2-6,8,10,15-16H,7,9,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95625451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).