trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide

C22H19FN2O — CID 36951570

IUPACtrans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O/c23-17-11-9-15(10-12-17)18-14-19(18)22(26)25-21(16-6-2-1-3-7-16)20-8-4-5-13-24-20/h1-13,18-19,21H,14H2,(H,25,26)/t18-,19+,21+/m1/s1
InChIKeyVZVCWHOTAKFGAH-DYXWJJEUSA-N
MW346.41 g/mol
LogP4.23
Rot. Bonds5

About trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 36951570) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID36951570
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Nametrans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O/c23-17-11-9-15(10-12-17)18-14-19(18)22(26)25-21(16-6-2-1-3-7-16)20-8-4-5-13-24-20/h1-13,18-19,21H,14H2,(H,25,26)/t18-,19+,21+/m1/s1
InChIKeyVZVCWHOTAKFGAH-DYXWJJEUSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide (CID 36951570) is trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide is O=C(N[C@@H](c1ccccc1)c1ccccn1)[C@H]1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is VZVCWHOTAKFGAH-DYXWJJEUSA-N. The full InChI is InChI=1S/C22H19FN2O/c23-17-11-9-15(10-12-17)18-14-19(18)22(26)25-21(16-6-2-1-3-7-16)20-8-4-5-13-24-20/h1-13,18-19,21H,14H2,(H,25,26)/t18-,19+,21+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 36951570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).