ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen

C13H21FN4O — CID 166548081

IUPACethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen
SMILESC/N=C/C(=N\N)NC(=O)c1cc(F)ccc1C.CC.[H][H]
InChIInChI=1S/C11H13FN4O.C2H6.H2/c1-7-3-4-8(12)5-9(7)11(17)15-10(16-13)6-14-2;1-2;/h3-6H,13H2,1-2H3,(H,15,16,17);1-2H3;1H/b14-6+;;
InChIKeyNFQUYLGUHDHZEM-OJHGAHPXSA-N
MW268.34 g/mol
LogP2.11
Rot. Bonds2

About ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen

ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen (PubChem CID 166548081) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen
PubChem CID166548081
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Nameethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen
SMILESC/N=C/C(=N\N)NC(=O)c1cc(F)ccc1C.CC.[H][H]
InChIInChI=1S/C11H13FN4O.C2H6.H2/c1-7-3-4-8(12)5-9(7)11(17)15-10(16-13)6-14-2;1-2;/h3-6H,13H2,1-2H3,(H,15,16,17);1-2H3;1H/b14-6+;;
InChIKeyNFQUYLGUHDHZEM-OJHGAHPXSA-N
XLogP2.11
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
CID 142023761
5-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylbenzamide
CID 76932769
N-(3-amino-3-hydroxyiminopropyl)-5-fluoro-2-methylbenzamide
CID 76985782
N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide
CID 112550764
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen?
The IUPAC name of ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen (CID 166548081) is ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen.
What is the SMILES notation for ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen?
The canonical SMILES for ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen is C/N=C/C(=N\N)NC(=O)c1cc(F)ccc1C.CC.[H][H].
What is the InChIKey of ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen?
The InChIKey is NFQUYLGUHDHZEM-OJHGAHPXSA-N. The full InChI is InChI=1S/C11H13FN4O.C2H6.H2/c1-7-3-4-8(12)5-9(7)11(17)15-10(16-13)6-14-2;1-2;/h3-6H,13H2,1-2H3,(H,15,16,17);1-2H3;1H/b14-6+;;.
What are the key properties of ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen?
ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen has a molecular weight of 268.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen is sourced from PubChem (CID 166548081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).