N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide

C15H20F3N5O3 — CID 11234210

IUPACN-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
SMILESCC1CCC(CN(O)C=O)(C(=O)NNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N5O3/c1-10-2-5-14(6-3-10,8-23(26)9-24)12(25)21-22-13-19-7-4-11(20-13)15(16,17)18/h4,7,9-10,26H,2-3,5-6,8H2,1H3,(H,21,25)(H,19,20,22)
InChIKeyZMJMEYRLLZXVEG-UHFFFAOYSA-N
MW375.35 g/mol
LogP1.98
Rot. Bonds6

About N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide

N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide (PubChem CID 11234210) has the molecular formula C15H20F3N5O3 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
PubChem CID11234210
Molecular FormulaC15H20F3N5O3
Molecular Weight375.35 g/mol
Exact Mass375.15
IUPAC NameN-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
SMILESCC1CCC(CN(O)C=O)(C(=O)NNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N5O3/c1-10-2-5-14(6-3-10,8-23(26)9-24)12(25)21-22-13-19-7-4-11(20-13)15(16,17)18/h4,7,9-10,26H,2-3,5-6,8H2,1H3,(H,21,25)(H,19,20,22)
InChIKeyZMJMEYRLLZXVEG-UHFFFAOYSA-N
XLogP1.98
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
The IUPAC name of N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide (CID 11234210) is N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide.
What is the SMILES notation for N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
The canonical SMILES for N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide is CC1CCC(CN(O)C=O)(C(=O)NNc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
The InChIKey is ZMJMEYRLLZXVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O3/c1-10-2-5-14(6-3-10,8-23(26)9-24)12(25)21-22-13-19-7-4-11(20-13)15(16,17)18/h4,7,9-10,26H,2-3,5-6,8H2,1H3,(H,21,25)(H,19,20,22).
What are the key properties of N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide has a molecular weight of 375.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide is sourced from PubChem (CID 11234210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).