(2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H15F3N2O2 — CID 136586251

IUPAC(2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ncccc1F)[C@@H]1Cc2ccccc2O[C@H]1C(F)F
InChIInChI=1S/C17H15F3N2O2/c18-12-5-3-7-21-13(12)9-22-17(23)11-8-10-4-1-2-6-14(10)24-15(11)16(19)20/h1-7,11,15-16H,8-9H2,(H,22,23)/t11-,15-/m1/s1
InChIKeyFMQPJLNTDFDUIF-IAQYHMDHSA-N
MW336.31 g/mol
LogP2.72
Rot. Bonds4

About (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

(2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 136586251) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID136586251
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name(2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ncccc1F)[C@@H]1Cc2ccccc2O[C@H]1C(F)F
InChIInChI=1S/C17H15F3N2O2/c18-12-5-3-7-21-13(12)9-22-17(23)11-8-10-4-1-2-6-14(10)24-15(11)16(19)20/h1-7,11,15-16H,8-9H2,(H,22,23)/t11-,15-/m1/s1
InChIKeyFMQPJLNTDFDUIF-IAQYHMDHSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 136586251) is (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCc1ncccc1F)[C@@H]1Cc2ccccc2O[C@H]1C(F)F.
What is the InChIKey of (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FMQPJLNTDFDUIF-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-12-5-3-7-21-13(12)9-22-17(23)11-8-10-4-1-2-6-14(10)24-15(11)16(19)20/h1-7,11,15-16H,8-9H2,(H,22,23)/t11-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(difluoromethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 136586251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).