4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide

C18H15F3N4O3 — CID 29409991

IUPAC4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
SMILESCc1cc(C)c2cc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1
InChIInChI=1S/C18H15F3N4O3/c1-9-5-10(2)12-8-15(22-14(12)6-9)17(26)24-23-13-4-3-11(18(19,20)21)7-16(13)25(27)28/h3-8,22-23H,1-2H3,(H,24,26)
InChIKeyQPPPXGYUNUQDKI-UHFFFAOYSA-N
MW392.34 g/mol
LogP4.47
Rot. Bonds4

About 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide

4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide (PubChem CID 29409991) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
PubChem CID29409991
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
SMILESCc1cc(C)c2cc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1
InChIInChI=1S/C18H15F3N4O3/c1-9-5-10(2)12-8-15(22-14(12)6-9)17(26)24-23-13-4-3-11(18(19,20)21)7-16(13)25(27)28/h3-8,22-23H,1-2H3,(H,24,26)
InChIKeyQPPPXGYUNUQDKI-UHFFFAOYSA-N
XLogP4.47
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
CID 55631614
5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide
CID 78869090
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
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carbohydrazide
CID 29408654
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide
CID 29409356
1-(3,4-dimethylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea
CID 7941413

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide?
The IUPAC name of 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide (CID 29409991) is 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide.
What is the SMILES notation for 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide?
The canonical SMILES for 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide is Cc1cc(C)c2cc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide?
The InChIKey is QPPPXGYUNUQDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-9-5-10(2)12-8-15(22-14(12)6-9)17(26)24-23-13-4-3-11(18(19,20)21)7-16(13)25(27)28/h3-8,22-23H,1-2H3,(H,24,26).
What are the key properties of 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide?
4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide has a molecular weight of 392.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide is sourced from PubChem (CID 29409991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).