N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide

C16H17F3N4O2 — CID 30341698

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccc(COCC(F)(F)F)cc2)n1
InChIInChI=1S/C16H17F3N4O2/c1-10-7-11(2)21-15(20-10)23-22-14(24)13-5-3-12(4-6-13)8-25-9-16(17,18)19/h3-7H,8-9H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyQRXYJXUEIYCWFM-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.93
Rot. Bonds6

About N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide (PubChem CID 30341698) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
PubChem CID30341698
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccc(COCC(F)(F)F)cc2)n1
InChIInChI=1S/C16H17F3N4O2/c1-10-7-11(2)21-15(20-10)23-22-14(24)13-5-3-12(4-6-13)8-25-9-16(17,18)19/h3-7H,8-9H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyQRXYJXUEIYCWFM-UHFFFAOYSA-N
XLogP2.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide
CID 46427400
4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55489667
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 26080663
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 16546762
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24612049
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 55489256
N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30094922
methyl 4-(2,2,2-trifluoroethoxymethyl)benzoate;4-(2,2,2-trifluoroethoxymethyl)benzoic acid
CID 159461011
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide
CID 26121927
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55660672
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide (CID 30341698) is N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide is Cc1cc(C)nc(NNC(=O)c2ccc(COCC(F)(F)F)cc2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The InChIKey is QRXYJXUEIYCWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-10-7-11(2)21-15(20-10)23-22-14(24)13-5-3-12(4-6-13)8-25-9-16(17,18)19/h3-7H,8-9H2,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide has a molecular weight of 354.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide is sourced from PubChem (CID 30341698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).