cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide

C14H18FNO — CID 124831984

IUPACcis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H](Cc1ccccc1F)NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C14H18FNO/c1-9-7-12(9)14(17)16-10(2)8-11-5-3-4-6-13(11)15/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)/t9-,10-,12+/m1/s1
InChIKeyILELVXDFDGCZKN-FOGDFJRCSA-N
MW235.30 g/mol
LogP2.53
Rot. Bonds4

About cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 124831984) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID124831984
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Namecis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H](Cc1ccccc1F)NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C14H18FNO/c1-9-7-12(9)14(17)16-10(2)8-11-5-3-4-6-13(11)15/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)/t9-,10-,12+/m1/s1
InChIKeyILELVXDFDGCZKN-FOGDFJRCSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91692173
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N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
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cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
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2-(2,3-dihydro-1H-inden-1-yl)-N-[1-(2-fluorophenyl)propan-2-yl]acetamide
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N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
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N-[1-(2-fluorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119722793
(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
CID 70064214
1-[1-(2-fluorophenyl)propan-2-yl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide (CID 124831984) is cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide is C[C@H](Cc1ccccc1F)NC(=O)[C@H]1C[C@H]1C.
What is the InChIKey of cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is ILELVXDFDGCZKN-FOGDFJRCSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-7-12(9)14(17)16-10(2)8-11-5-3-4-6-13(11)15/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)/t9-,10-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 235.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 124831984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).