2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide

C18H19FN2O2 — CID 134536580

IUPAC2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
SMILESCNC1c2ccccc2OCC1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-20-18-14-4-2-3-5-16(14)23-11-15(18)21-17(22)10-12-6-8-13(19)9-7-12/h2-9,15,18,20H,10-11H2,1H3,(H,21,22)
InChIKeyBRPGUXCOFNSOHC-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.21
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide

2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide (PubChem CID 134536580) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
PubChem CID134536580
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
SMILESCNC1c2ccccc2OCC1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-20-18-14-4-2-3-5-16(14)23-11-15(18)21-17(22)10-12-6-8-13(19)9-7-12/h2-9,15,18,20H,10-11H2,1H3,(H,21,22)
InChIKeyBRPGUXCOFNSOHC-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide
CID 134536782
(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 134521718
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide
CID 155996080
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168
(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide
CID 134536633
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 97016841
2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 94814028
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64615385
2-(4-fluorophenyl)-N-(4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl)propanamide
CID 172873483

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide (CID 134536580) is 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide is CNC1c2ccccc2OCC1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide?
The InChIKey is BRPGUXCOFNSOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-20-18-14-4-2-3-5-16(14)23-11-15(18)21-17(22)10-12-6-8-13(19)9-7-12/h2-9,15,18,20H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide?
2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide has a molecular weight of 314.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide is sourced from PubChem (CID 134536580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).