2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide

C14H12F3N3O4 — CID 29409438

IUPAC2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)o1
InChIInChI=1S/C14H12F3N3O4/c1-7-5-10(8(2)24-7)13(21)19-18-11-4-3-9(14(15,16)17)6-12(11)20(22)23/h3-6,18H,1-2H3,(H,19,21)
InChIKeyMMGGYPDFYYEODD-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.58
Rot. Bonds4

About 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide (PubChem CID 29409438) has the molecular formula C14H12F3N3O4 and a molecular weight of 343.26 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
PubChem CID29409438
Molecular FormulaC14H12F3N3O4
Molecular Weight343.26 g/mol
Exact Mass343.08
IUPAC Name2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)o1
InChIInChI=1S/C14H12F3N3O4/c1-7-5-10(8(2)24-7)13(21)19-18-11-4-3-9(14(15,16)17)6-12(11)20(22)23/h3-6,18H,1-2H3,(H,19,21)
InChIKeyMMGGYPDFYYEODD-UHFFFAOYSA-N
XLogP3.58
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carbohydrazide
CID 29408654
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-5-(2,2,2-trifluoroethoxy)benzohydrazide
CID 55794086
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide
CID 9156552
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409562
4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
CID 29409991
N'-[2-nitro-4-(trifluoromethyl)phenyl]oxane-4-carbohydrazide
CID 51192645

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide (CID 29409438) is 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide?
The InChIKey is MMGGYPDFYYEODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4/c1-7-5-10(8(2)24-7)13(21)19-18-11-4-3-9(14(15,16)17)6-12(11)20(22)23/h3-6,18H,1-2H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide has a molecular weight of 343.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide is sourced from PubChem (CID 29409438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).