cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide

C22H25FN2O — CID 52544642

IUPACcis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C22H25FN2O/c1-24(15-16-8-2-5-11-21(16)25-12-6-7-13-25)22(26)19-14-18(19)17-9-3-4-10-20(17)23/h2-5,8-11,18-19H,6-7,12-15H2,1H3/t18-,19-/m0/s1
InChIKeyUTEYVIPUPGFXCG-OALUTQOASA-N
MW352.45 g/mol
LogP4.19
Rot. Bonds5

About cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 52544642) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID52544642
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Namecis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C22H25FN2O/c1-24(15-16-8-2-5-11-21(16)25-12-6-7-13-25)22(26)19-14-18(19)17-9-3-4-10-20(17)23/h2-5,8-11,18-19H,6-7,12-15H2,1H3/t18-,19-/m0/s1
InChIKeyUTEYVIPUPGFXCG-OALUTQOASA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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cis-(1R,3S)-3-amino-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
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2-(2-chlorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55550792
(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
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N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 90220082
(2S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 124685793
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
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1-hydroxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide (CID 52544642) is cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide is CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is UTEYVIPUPGFXCG-OALUTQOASA-N. The full InChI is InChI=1S/C22H25FN2O/c1-24(15-16-8-2-5-11-21(16)25-12-6-7-13-25)22(26)19-14-18(19)17-9-3-4-10-20(17)23/h2-5,8-11,18-19H,6-7,12-15H2,1H3/t18-,19-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 352.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 52544642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).