2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide

C19H19FN2O2 — CID 95619538

IUPAC2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-12-21-18(23)13-22-19(14-4-8-16(20)9-5-14)15-6-10-17(24-2)11-7-15/h1,4-11,19,22H,12-13H2,2H3,(H,21,23)/t19-/m0/s1
InChIKeyFYQUVWYAMCHZLM-IBGZPJMESA-N
MW326.37 g/mol
LogP2.26
Rot. Bonds7

About 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide

2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide (PubChem CID 95619538) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
PubChem CID95619538
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-12-21-18(23)13-22-19(14-4-8-16(20)9-5-14)15-6-10-17(24-2)11-7-15/h1,4-11,19,22H,12-13H2,2H3,(H,21,23)/t19-/m0/s1
InChIKeyFYQUVWYAMCHZLM-IBGZPJMESA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 52758428
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
CID 8830778
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 52758463
N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9133571
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-prop-2-ynylacetamide
CID 47014928
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 97305872

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide (CID 95619538) is 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1.
What is the InChIKey of 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide?
The InChIKey is FYQUVWYAMCHZLM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-12-21-18(23)13-22-19(14-4-8-16(20)9-5-14)15-6-10-17(24-2)11-7-15/h1,4-11,19,22H,12-13H2,2H3,(H,21,23)/t19-/m0/s1.
What are the key properties of 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide?
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide has a molecular weight of 326.37 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 95619538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).