cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide

C16H20FNO2 — CID 124738810

IUPACcis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C[C@H](O)C1CC1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H20FNO2/c1-18(9-15(19)10-5-6-10)16(20)14-8-13(14)11-3-2-4-12(17)7-11/h2-4,7,10,13-15,19H,5-6,8-9H2,1H3/t13-,14-,15-/m0/s1
InChIKeyRQUYSCXOTMJVIB-KKUMJFAQSA-N
MW277.34 g/mol
LogP2.16
Rot. Bonds5

About cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 124738810) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID124738810
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Namecis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C[C@H](O)C1CC1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H20FNO2/c1-18(9-15(19)10-5-6-10)16(20)14-8-13(14)11-3-2-4-12(17)7-11/h2-4,7,10,13-15,19H,5-6,8-9H2,1H3/t13-,14-,15-/m0/s1
InChIKeyRQUYSCXOTMJVIB-KKUMJFAQSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 124738810) is cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide is CN(C[C@H](O)C1CC1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1.
What is the InChIKey of cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is RQUYSCXOTMJVIB-KKUMJFAQSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-18(9-15(19)10-5-6-10)16(20)14-8-13(14)11-3-2-4-12(17)7-11/h2-4,7,10,13-15,19H,5-6,8-9H2,1H3/t13-,14-,15-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 124738810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).