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

C21H21FN2O2 — CID 86860847

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
SMILESC#CCN(CC(=O)NC1CCOc2ccccc21)Cc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-2-12-24(14-16-7-9-17(22)10-8-16)15-21(25)23-19-11-13-26-20-6-4-3-5-18(19)20/h1,3-10,19H,11-15H2,(H,23,25)
InChIKeyFTXUZXPOWQZEOD-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.90
Rot. Bonds6

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

N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide (PubChem CID 86860847) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
PubChem CID86860847
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
SMILESC#CCN(CC(=O)NC1CCOc2ccccc21)Cc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-2-12-24(14-16-7-9-17(22)10-8-16)15-21(25)23-19-11-13-26-20-6-4-3-5-18(19)20/h1,3-10,19H,11-15H2,(H,23,25)
InChIKeyFTXUZXPOWQZEOD-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 17455713
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018470
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 40938536
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine;hydroiodide
CID 111752459
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 46828809
2-bromo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 19694270
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111597519
N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 42920878

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide (CID 86860847) is N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide is C#CCN(CC(=O)NC1CCOc2ccccc21)Cc1ccc(F)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide?
The InChIKey is FTXUZXPOWQZEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-2-12-24(14-16-7-9-17(22)10-8-16)15-21(25)23-19-11-13-26-20-6-4-3-5-18(19)20/h1,3-10,19H,11-15H2,(H,23,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide has a molecular weight of 352.41 g/mol, XLogP of 2.90, 6 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-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide is sourced from PubChem (CID 86860847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).