N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide

C16H19F2NO2 — CID 99784636

IUPACN-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide
SMILESC#CCC(C)(C)C(=O)N[C@H](C)COc1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c1-5-8-16(3,4)15(20)19-11(2)10-21-14-7-6-12(17)9-13(14)18/h1,6-7,9,11H,8,10H2,2-4H3,(H,19,20)/t11-/m1/s1
InChIKeyWOXOVUHVIKPHII-LLVKDONJSA-N
MW295.33 g/mol
LogP2.90
Rot. Bonds6

About N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide

N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide (PubChem CID 99784636) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide
PubChem CID99784636
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide
SMILESC#CCC(C)(C)C(=O)N[C@H](C)COc1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c1-5-8-16(3,4)15(20)19-11(2)10-21-14-7-6-12(17)9-13(14)18/h1,6-7,9,11H,8,10H2,2-4H3,(H,19,20)/t11-/m1/s1
InChIKeyWOXOVUHVIKPHII-LLVKDONJSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119742779
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438438
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
methyl 3-(2,4-difluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118862794
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742775
(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624769
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide?
The IUPAC name of N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide (CID 99784636) is N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide.
What is the SMILES notation for N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide?
The canonical SMILES for N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide is C#CCC(C)(C)C(=O)N[C@H](C)COc1ccc(F)cc1F.
What is the InChIKey of N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide?
The InChIKey is WOXOVUHVIKPHII-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-5-8-16(3,4)15(20)19-11(2)10-21-14-7-6-12(17)9-13(14)18/h1,6-7,9,11H,8,10H2,2-4H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide?
N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide has a molecular weight of 295.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide is sourced from PubChem (CID 99784636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).