N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide

C17H11ClFN5O4 — CID 9418559

IUPACN'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C17H11ClFN5O4/c18-10-1-6-13(14(7-10)24(27)28)16(25)21-22-17(26)15-8-20-9-23(15)12-4-2-11(19)3-5-12/h1-9H,(H,21,25)(H,22,26)
InChIKeyJBZDPOOPHUMURU-UHFFFAOYSA-N
MW403.76 g/mol
LogP2.65
Rot. Bonds4

About N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide

N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide (PubChem CID 9418559) has the molecular formula C17H11ClFN5O4 and a molecular weight of 403.76 g/mol. Its IUPAC name is N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
PubChem CID9418559
Molecular FormulaC17H11ClFN5O4
Molecular Weight403.76 g/mol
Exact Mass403.05
IUPAC NameN'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C17H11ClFN5O4/c18-10-1-6-13(14(7-10)24(27)28)16(25)21-22-17(26)15-8-20-9-23(15)12-4-2-11(19)3-5-12/h1-9H,(H,21,25)(H,22,26)
InChIKeyJBZDPOOPHUMURU-UHFFFAOYSA-N
XLogP2.65
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.76
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-(4-fluorophenyl)-N'-[4-(methylamino)-3-nitrobenzoyl]imidazole-4-carbohydrazide
CID 9418546
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418577
N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 31957371
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
1-[(4-chloro-2-nitrobenzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 8941766
4-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-nitrobenzamide
CID 55578069
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide
CID 39983929
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289
N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide
CID 30145216
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The IUPAC name of N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide (CID 9418559) is N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The canonical SMILES for N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide is O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The InChIKey is JBZDPOOPHUMURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5O4/c18-10-1-6-13(14(7-10)24(27)28)16(25)21-22-17(26)15-8-20-9-23(15)12-4-2-11(19)3-5-12/h1-9H,(H,21,25)(H,22,26).
What are the key properties of N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide has a molecular weight of 403.76 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 9418559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).