(1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide

C17H16F2N2O2 — CID 169176882

IUPAC(1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)[C@@H]3CC3(F)F)ccc2C)nc1
InChIInChI=1S/C17H16F2N2O2/c1-10-3-4-11(21-16(22)14-8-17(14,18)19)7-13(10)15-6-5-12(23-2)9-20-15/h3-7,9,14H,8H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyBYLAFQSORTZEJT-AWEZNQCLSA-N
MW318.32 g/mol
LogP3.66
Rot. Bonds4

About (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide

(1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide (PubChem CID 169176882) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
PubChem CID169176882
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name(1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)[C@@H]3CC3(F)F)ccc2C)nc1
InChIInChI=1S/C17H16F2N2O2/c1-10-3-4-11(21-16(22)14-8-17(14,18)19)7-13(10)15-6-5-12(23-2)9-20-15/h3-7,9,14H,8H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyBYLAFQSORTZEJT-AWEZNQCLSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide (CID 169176882) is (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide is COc1ccc(-c2cc(NC(=O)[C@@H]3CC3(F)F)ccc2C)nc1.
What is the InChIKey of (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide?
The InChIKey is BYLAFQSORTZEJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-10-3-4-11(21-16(22)14-8-17(14,18)19)7-13(10)15-6-5-12(23-2)9-20-15/h3-7,9,14H,8H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide?
(1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 169176882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).