N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide

C23H20F2N2O — CID 68709871

IUPACN-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1c1ccc(-c2ccc(F)cc2)nc1)c1ccccc1F
InChIInChI=1S/C23H20F2N2O/c1-2-27(22-6-4-3-5-20(22)25)23(28)19-13-18(19)16-9-12-21(26-14-16)15-7-10-17(24)11-8-15/h3-12,14,18-19H,2,13H2,1H3
InChIKeyLLLOQWYNAONRGQ-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.18
Rot. Bonds5

About N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide

N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 68709871) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID68709871
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC NameN-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1c1ccc(-c2ccc(F)cc2)nc1)c1ccccc1F
InChIInChI=1S/C23H20F2N2O/c1-2-27(22-6-4-3-5-20(22)25)23(28)19-13-18(19)16-9-12-21(26-14-16)15-7-10-17(24)11-8-15/h3-12,14,18-19H,2,13H2,1H3
InChIKeyLLLOQWYNAONRGQ-UHFFFAOYSA-N
XLogP5.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 68709871) is N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide is CCN(C(=O)C1CC1c1ccc(-c2ccc(F)cc2)nc1)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is LLLOQWYNAONRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O/c1-2-27(22-6-4-3-5-20(22)25)23(28)19-13-18(19)16-9-12-21(26-14-16)15-7-10-17(24)11-8-15/h3-12,14,18-19H,2,13H2,1H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide?
N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 68709871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).