N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide

C19H14F4N4O — CID 10318206

IUPACN-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
SMILESCC(=O)N(N)c1nc(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccccc1
InChIInChI=1S/C19H14F4N4O/c1-11(28)27(24)17-15(12-5-3-2-4-6-12)16(13-7-9-14(20)10-8-13)25-18(26-17)19(21,22)23/h2-10H,24H2,1H3
InChIKeyUSNFZWRMEOIQKV-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.20
Rot. Bonds3

About N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide

N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide (PubChem CID 10318206) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
PubChem CID10318206
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC NameN-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide
SMILESCC(=O)N(N)c1nc(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccccc1
InChIInChI=1S/C19H14F4N4O/c1-11(28)27(24)17-15(12-5-3-2-4-6-12)16(13-7-9-14(20)10-8-13)25-18(26-17)19(21,22)23/h2-10H,24H2,1H3
InChIKeyUSNFZWRMEOIQKV-UHFFFAOYSA-N
XLogP4.20
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The IUPAC name of N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide (CID 10318206) is N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The canonical SMILES for N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide is CC(=O)N(N)c1nc(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccccc1.
What is the InChIKey of N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
The InChIKey is USNFZWRMEOIQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c1-11(28)27(24)17-15(12-5-3-2-4-6-12)16(13-7-9-14(20)10-8-13)25-18(26-17)19(21,22)23/h2-10H,24H2,1H3.
What are the key properties of N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide?
N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide has a molecular weight of 390.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]acetohydrazide is sourced from PubChem (CID 10318206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).