N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide

C15H22F3N5O3 — CID 10045116

IUPACN-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide
SMILESCCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H22F3N5O3/c1-2-3-4-5-6-11(9-23(26)10-24)13(25)21-22-14-19-8-7-12(20-14)15(16,17)18/h7-8,10-11,26H,2-6,9H2,1H3,(H,21,25)(H,19,20,22)/t11-/m1/s1
InChIKeyJVRJHZJETRVGNP-LLVKDONJSA-N
MW377.37 g/mol
LogP2.37
Rot. Bonds11

About N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide

N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide (PubChem CID 10045116) has the molecular formula C15H22F3N5O3 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide
PubChem CID10045116
Molecular FormulaC15H22F3N5O3
Molecular Weight377.37 g/mol
Exact Mass377.17
IUPAC NameN-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide
SMILESCCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H22F3N5O3/c1-2-3-4-5-6-11(9-23(26)10-24)13(25)21-22-14-19-8-7-12(20-14)15(16,17)18/h7-8,10-11,26H,2-6,9H2,1H3,(H,21,25)(H,19,20,22)/t11-/m1/s1
InChIKeyJVRJHZJETRVGNP-LLVKDONJSA-N
XLogP2.37
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide (CID 10045116) is N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide is CCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide?
The InChIKey is JVRJHZJETRVGNP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22F3N5O3/c1-2-3-4-5-6-11(9-23(26)10-24)13(25)21-22-14-19-8-7-12(20-14)15(16,17)18/h7-8,10-11,26H,2-6,9H2,1H3,(H,21,25)(H,19,20,22)/t11-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide?
N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide has a molecular weight of 377.37 g/mol, XLogP of 2.37, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]octyl]formamide is sourced from PubChem (CID 10045116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).