N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

C20H23FN2O2 — CID 118793968

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c1-23(2)19(15-6-8-17(21)9-7-15)20(24)22-13-14-5-10-18-16(12-14)4-3-11-25-18/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyOYUPEOYOPHSTKE-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.07
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (PubChem CID 118793968) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
PubChem CID118793968
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c1-23(2)19(15-6-8-17(21)9-7-15)20(24)22-13-14-5-10-18-16(12-14)4-3-11-25-18/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyOYUPEOYOPHSTKE-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 110784257
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 72870160
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
2-(3,4-dihydro-2H-chromen-6-ylmethylamino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95123738
(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 95119707
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
3-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-[(4-fluorophenyl)methyl]-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]urea
CID 156782345
1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide
CID 91792056
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988314

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (CID 118793968) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is CN(C)C(C(=O)NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The InChIKey is OYUPEOYOPHSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-23(2)19(15-6-8-17(21)9-7-15)20(24)22-13-14-5-10-18-16(12-14)4-3-11-25-18/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 118793968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).