2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide

C19H18F2N2O2 — CID 8830778

IUPAC2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N2O2/c1-2-12-22-17(24)13-23-18(14-6-4-3-5-7-14)15-8-10-16(11-9-15)25-19(20)21/h1,3-11,18-19,23H,12-13H2,(H,22,24)/t18-/m1/s1
InChIKeyLEHCFDYOAIREOE-GOSISDBHSA-N
MW344.36 g/mol
LogP2.72
Rot. Bonds8

About 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide

2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide (PubChem CID 8830778) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
PubChem CID8830778
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N2O2/c1-2-12-22-17(24)13-23-18(14-6-4-3-5-7-14)15-8-10-16(11-9-15)25-19(20)21/h1,3-11,18-19,23H,12-13H2,(H,22,24)/t18-/m1/s1
InChIKeyLEHCFDYOAIREOE-GOSISDBHSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.72
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-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8830920
2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8830857
N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 18088700
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 95619538
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720427
2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide
CID 78808200
N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 40894967
N-(3-cyanothiophen-2-yl)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720364
N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8830525
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 33072186
N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
CID 9012238

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide (CID 8830778) is 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide?
The InChIKey is LEHCFDYOAIREOE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-2-12-22-17(24)13-23-18(14-6-4-3-5-7-14)15-8-10-16(11-9-15)25-19(20)21/h1,3-11,18-19,23H,12-13H2,(H,22,24)/t18-/m1/s1.
What are the key properties of 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide?
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide has a molecular weight of 344.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 8830778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).