N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C14H16F2N4O2 — CID 97245763

IUPACN-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C14H16F2N4O2/c1-9(10-4-5-11(15)12(16)6-10)19(3)13(21)7-20-14(22)18(2)8-17-20/h4-6,8-9H,7H2,1-3H3/t9-/m1/s1
InChIKeyYNXZJPOQWGPTEX-SECBINFHSA-N
MW310.30 g/mol
LogP1.08
Rot. Bonds4

About N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 97245763) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID97245763
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C14H16F2N4O2/c1-9(10-4-5-11(15)12(16)6-10)19(3)13(21)7-20-14(22)18(2)8-17-20/h4-6,8-9H,7H2,1-3H3/t9-/m1/s1
InChIKeyYNXZJPOQWGPTEX-SECBINFHSA-N
XLogP1.08
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 31351368
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[3-[(R)-methylsulfinyl]-1,2,4-triazol-4-yl]acetamide
CID 95979846
N-butan-2-yl-2-[4-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 78898037
N-[1-(3,4-difluorophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 134024782
1-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906682
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65353870
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538
2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
CID 78897751
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide
CID 51955980
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 97245763) is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ncn(C)c1=O.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is YNXZJPOQWGPTEX-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-9(10-4-5-11(15)12(16)6-10)19(3)13(21)7-20-14(22)18(2)8-17-20/h4-6,8-9H,7H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 310.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 97245763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).