trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide

C23H21FN2O — CID 92854461

IUPACtrans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O/c1-16-5-7-17(8-6-16)15-26-13-3-2-4-22(26)25-23(27)21-14-20(21)18-9-11-19(24)12-10-18/h2-13,20-21H,14-15H2,1H3/b25-22+/t20-,21+/m0/s1
InChIKeyALWZCWKSKGKFDA-WIAZPKGDSA-N
MW360.43 g/mol
LogP4.21
Rot. Bonds4

About trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide (PubChem CID 92854461) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide
PubChem CID92854461
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O/c1-16-5-7-17(8-6-16)15-26-13-3-2-4-22(26)25-23(27)21-14-20(21)18-9-11-19(24)12-10-18/h2-13,20-21H,14-15H2,1H3/b25-22+/t20-,21+/m0/s1
InChIKeyALWZCWKSKGKFDA-WIAZPKGDSA-N
XLogP4.21
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide (CID 92854461) is trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide is Cc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide?
The InChIKey is ALWZCWKSKGKFDA-WIAZPKGDSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-16-5-7-17(8-6-16)15-26-13-3-2-4-22(26)25-23(27)21-14-20(21)18-9-11-19(24)12-10-18/h2-13,20-21H,14-15H2,1H3/b25-22+/t20-,21+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide is sourced from PubChem (CID 92854461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).