N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide

C23H26FNO3 — CID 146097185

IUPACN-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC1(C)CC(N(Cc2ccccc2)C(=O)C2COc3cc(F)ccc3C2)CO1
InChIInChI=1S/C23H26FNO3/c1-23(2)12-20(15-28-23)25(13-16-6-4-3-5-7-16)22(26)18-10-17-8-9-19(24)11-21(17)27-14-18/h3-9,11,18,20H,10,12-15H2,1-2H3
InChIKeyZHPLWHGGXOEOSF-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.97
Rot. Bonds4

About N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide

N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 146097185) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID146097185
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC NameN-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC1(C)CC(N(Cc2ccccc2)C(=O)C2COc3cc(F)ccc3C2)CO1
InChIInChI=1S/C23H26FNO3/c1-23(2)12-20(15-28-23)25(13-16-6-4-3-5-7-16)22(26)18-10-17-8-9-19(24)11-21(17)27-14-18/h3-9,11,18,20H,10,12-15H2,1-2H3
InChIKeyZHPLWHGGXOEOSF-UHFFFAOYSA-N
XLogP3.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(5,5-dimethyloxolan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 138058367
(3R)-N-cyclopropyl-7-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050922
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 72855778
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63591250
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
methyl (E)-4-[(7-fluoro-3,4-dihydro-2H-chromene-3-carbonyl)amino]but-2-enoate
CID 146141826
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040901
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24515244
2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119202619
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
(3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95152442

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide (CID 146097185) is N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide is CC1(C)CC(N(Cc2ccccc2)C(=O)C2COc3cc(F)ccc3C2)CO1.
What is the InChIKey of N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZHPLWHGGXOEOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-23(2)12-20(15-28-23)25(13-16-6-4-3-5-7-16)22(26)18-10-17-8-9-19(24)11-21(17)27-14-18/h3-9,11,18,20H,10,12-15H2,1-2H3.
What are the key properties of N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5,5-dimethyloxolan-3-yl)-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 146097185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).