1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide

C19H15Cl2F3N4O4 — CID 55631589

IUPAC1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl2F3N4O4/c20-11-4-5-13(21)12(9-11)18(30)27-7-1-2-15(27)17(29)26-25-14-6-3-10(19(22,23)24)8-16(14)28(31)32/h3-6,8-9,15,25H,1-2,7H2,(H,26,29)
InChIKeyLHYIGRXQJUJMAG-UHFFFAOYSA-N
MW491.25 g/mol
LogP4.67
Rot. Bonds5

About 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide

1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide (PubChem CID 55631589) has the molecular formula C19H15Cl2F3N4O4 and a molecular weight of 491.25 g/mol. Its IUPAC name is 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide
PubChem CID55631589
Molecular FormulaC19H15Cl2F3N4O4
Molecular Weight491.25 g/mol
Exact Mass490.04
IUPAC Name1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl2F3N4O4/c20-11-4-5-13(21)12(9-11)18(30)27-7-1-2-15(27)17(29)26-25-14-6-3-10(19(22,23)24)8-16(14)28(31)32/h3-6,8-9,15,25H,1-2,7H2,(H,26,29)
InChIKeyLHYIGRXQJUJMAG-UHFFFAOYSA-N
XLogP4.67
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.25
LogP ≤ 54.67
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'}

Analyze 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-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

N'-[2-nitro-4-(trifluoromethyl)phenyl]oxane-4-carbohydrazide
CID 51192645
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
(2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide
CID 51938469
3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409246
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
1-(5-methylthiophen-2-yl)sulfonyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 55526739
6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
CID 55631614
1-cyclohexyl-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea
CID 7941409
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N-[2-nitro-4-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 139638246
1-(2-chloro-5-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 43387148
(4-methoxy-2-nitrophenyl) 1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 55605395

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide (CID 55631589) is 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide is O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCN1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide?
The InChIKey is LHYIGRXQJUJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F3N4O4/c20-11-4-5-13(21)12(9-11)18(30)27-7-1-2-15(27)17(29)26-25-14-6-3-10(19(22,23)24)8-16(14)28(31)32/h3-6,8-9,15,25H,1-2,7H2,(H,26,29).
What are the key properties of 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide?
1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide has a molecular weight of 491.25 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorobenzoyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 55631589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).