cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C19H14F4N4O — CID 97314027

IUPACcis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F4N4O/c20-16-7-11(5-6-17(16)27-10-24-9-25-27)26-18(28)14-8-13(14)12-3-1-2-4-15(12)19(21,22)23/h1-7,9-10,13-14H,8H2,(H,26,28)/t13-,14-/m0/s1
InChIKeyLVOPALAULSIDFM-KBPBESRZSA-N
MW390.34 g/mol
LogP4.17
Rot. Bonds4

About cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 97314027) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID97314027
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC Namecis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F4N4O/c20-16-7-11(5-6-17(16)27-10-24-9-25-27)26-18(28)14-8-13(14)12-3-1-2-4-15(12)19(21,22)23/h1-7,9-10,13-14H,8H2,(H,26,28)/t13-,14-/m0/s1
InChIKeyLVOPALAULSIDFM-KBPBESRZSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 97314027) is cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-n2cncn2)c(F)c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is LVOPALAULSIDFM-KBPBESRZSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-16-7-11(5-6-17(16)27-10-24-9-25-27)26-18(28)14-8-13(14)12-3-1-2-4-15(12)19(21,22)23/h1-7,9-10,13-14H,8H2,(H,26,28)/t13-,14-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97314027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).