4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide

C16H10ClF3N4O — CID 1470945

IUPAC4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF3N4O/c17-10-7-5-9(6-8-10)15(25)24-23-14-13(16(18,19)20)21-11-3-1-2-4-12(11)22-14/h1-8H,(H,22,23)(H,24,25)
InChIKeyPPNFFUJDBCRLRB-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.06
Rot. Bonds3

About 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide

4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (PubChem CID 1470945) has the molecular formula C16H10ClF3N4O and a molecular weight of 366.73 g/mol. Its IUPAC name is 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
PubChem CID1470945
Molecular FormulaC16H10ClF3N4O
Molecular Weight366.73 g/mol
Exact Mass366.05
IUPAC Name4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF3N4O/c17-10-7-5-9(6-8-10)15(25)24-23-14-13(16(18,19)20)21-11-3-1-2-4-12(11)22-14/h1-8H,(H,22,23)(H,24,25)
InChIKeyPPNFFUJDBCRLRB-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 44409445
CID 44409445
CID 2806021
CID 2806021
CID 1470918
CID 1470918
CID 9638237
CID 9638237
CID 118731254
CID 118731254
CID 118731255
CID 118731255
CID 3326253
CID 3326253
CID 3774974
CID 3774974
CID 4322148
CID 4322148
CID 4341782
CID 4341782
CID 599568
CID 599568
CID 139224370
CID 139224370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (CID 1470945) is 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is O=C(NNc1nc2ccccc2nc1C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The InChIKey is PPNFFUJDBCRLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O/c17-10-7-5-9(6-8-10)15(25)24-23-14-13(16(18,19)20)21-11-3-1-2-4-12(11)22-14/h1-8H,(H,22,23)(H,24,25).
What are the key properties of 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide has a molecular weight of 366.73 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is sourced from PubChem (CID 1470945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).