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

C16H10ClF3N4O3 — CID 55631614

IUPAC6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H10ClF3N4O3/c17-10-3-1-8-5-13(21-12(8)7-10)15(25)23-22-11-4-2-9(16(18,19)20)6-14(11)24(26)27/h1-7,21-22H,(H,23,25)
InChIKeyYGOKHDGUFPCARH-UHFFFAOYSA-N
MW398.73 g/mol
LogP4.51
Rot. Bonds4

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

6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide (PubChem CID 55631614) has the molecular formula C16H10ClF3N4O3 and a molecular weight of 398.73 g/mol. Its IUPAC name is 6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
PubChem CID55631614
Molecular FormulaC16H10ClF3N4O3
Molecular Weight398.73 g/mol
Exact Mass398.04
IUPAC Name6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H10ClF3N4O3/c17-10-3-1-8-5-13(21-12(8)7-10)15(25)23-22-11-4-2-9(16(18,19)20)6-14(11)24(26)27/h1-7,21-22H,(H,23,25)
InChIKeyYGOKHDGUFPCARH-UHFFFAOYSA-N
XLogP4.51
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.73
LogP ≤ 54.51
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'}

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Related Compounds

4,6-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
CID 29409991
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
CID 29409127
5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 29409626
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
4-chloro-N'-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]benzohydrazide
CID 67757758

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide?
The IUPAC name of 6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide (CID 55631614) is 6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide.
What is the SMILES notation for 6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide?
The canonical SMILES for 6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide is O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide?
The InChIKey is YGOKHDGUFPCARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O3/c17-10-3-1-8-5-13(21-12(8)7-10)15(25)23-22-11-4-2-9(16(18,19)20)6-14(11)24(26)27/h1-7,21-22H,(H,23,25).
What are the key properties of 6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide?
6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide has a molecular weight of 398.73 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide is sourced from PubChem (CID 55631614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).