N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide

C15H21F3N4O3 — CID 87264080

IUPACN-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H21F3N4O3/c1-2-3-4-5-11(9-22(25)10-23)14(24)21-20-13-8-12(6-7-19-13)15(16,17)18/h6-8,10-11,25H,2-5,9H2,1H3,(H,19,20)(H,21,24)
InChIKeyUYFKCVVMVHLROI-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.59
Rot. Bonds10

About N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide (PubChem CID 87264080) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide
PubChem CID87264080
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC NameN-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H21F3N4O3/c1-2-3-4-5-11(9-22(25)10-23)14(24)21-20-13-8-12(6-7-19-13)15(16,17)18/h6-8,10-11,25H,2-5,9H2,1H3,(H,19,20)(H,21,24)
InChIKeyUYFKCVVMVHLROI-UHFFFAOYSA-N
XLogP2.59
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide (CID 87264080) is N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide is CCCCCC(CN(O)C=O)C(=O)NNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide?
The InChIKey is UYFKCVVMVHLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-2-3-4-5-11(9-22(25)10-23)14(24)21-20-13-8-12(6-7-19-13)15(16,17)18/h6-8,10-11,25H,2-5,9H2,1H3,(H,19,20)(H,21,24).
What are the key properties of N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide has a molecular weight of 362.35 g/mol, XLogP of 2.59, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-[[[4-(trifluoromethyl)-2-pyridinyl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).