N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide

C19H17F2NO3 — CID 111519728

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide
SMILESCC(O)(CNC(=O)C1=Cc2ccccc2OC1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2NO3/c1-19(24,15-7-6-14(20)9-16(15)21)11-22-18(23)13-8-12-4-2-3-5-17(12)25-10-13/h2-9,24H,10-11H2,1H3,(H,22,23)
InChIKeyFHMCRUZQNDOQFQ-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide (PubChem CID 111519728) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide
PubChem CID111519728
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide
SMILESCC(O)(CNC(=O)C1=Cc2ccccc2OC1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2NO3/c1-19(24,15-7-6-14(20)9-16(15)21)11-22-18(23)13-8-12-4-2-3-5-17(12)25-10-13/h2-9,24H,10-11H2,1H3,(H,22,23)
InChIKeyFHMCRUZQNDOQFQ-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-(3-hydroxy-2,2,4-trimethylpentyl)-2H-chromene-3-carboxamide
CID 109381132
N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
CID 111520105
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
N-methyl-2H-chromene-3-carboxamide
CID 13029267
6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2H-chromene-3-carboxamide
CID 110000594
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-2H-chromene-3-carboxamide
CID 96570760

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide (CID 111519728) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide is CC(O)(CNC(=O)C1=Cc2ccccc2OC1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide?
The InChIKey is FHMCRUZQNDOQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-19(24,15-7-6-14(20)9-16(15)21)11-22-18(23)13-8-12-4-2-3-5-17(12)25-10-13/h2-9,24H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 111519728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).