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

C14H18F3N5O3 — CID 11210627

IUPACN-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
SMILESO=CN(O)CC1(C(=O)NNc2nccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C14H18F3N5O3/c15-14(16,17)10-4-7-18-12(19-10)21-20-11(24)13(8-22(25)9-23)5-2-1-3-6-13/h4,7,9,25H,1-3,5-6,8H2,(H,20,24)(H,18,19,21)
InChIKeyDJBLHZJGZMMSDP-UHFFFAOYSA-N
MW361.32 g/mol
LogP1.74
Rot. Bonds6

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

N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide (PubChem CID 11210627) has the molecular formula C14H18F3N5O3 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
PubChem CID11210627
Molecular FormulaC14H18F3N5O3
Molecular Weight361.32 g/mol
Exact Mass361.14
IUPAC NameN-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide
SMILESO=CN(O)CC1(C(=O)NNc2nccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C14H18F3N5O3/c15-14(16,17)10-4-7-18-12(19-10)21-20-11(24)13(8-22(25)9-23)5-2-1-3-6-13/h4,7,9,25H,1-3,5-6,8H2,(H,20,24)(H,18,19,21)
InChIKeyDJBLHZJGZMMSDP-UHFFFAOYSA-N
XLogP1.74
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 51.74
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-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
The IUPAC name of N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide (CID 11210627) is N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide.
What is the SMILES notation for N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
The canonical SMILES for N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide is O=CN(O)CC1(C(=O)NNc2nccc(C(F)(F)F)n2)CCCCC1.
What is the InChIKey of N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
The InChIKey is DJBLHZJGZMMSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O3/c15-14(16,17)10-4-7-18-12(19-10)21-20-11(24)13(8-22(25)9-23)5-2-1-3-6-13/h4,7,9,25H,1-3,5-6,8H2,(H,20,24)(H,18,19,21).
What are the key properties of N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide?
N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide has a molecular weight of 361.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]methyl]formamide is sourced from PubChem (CID 11210627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).