2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide

C14H9ClFN3O4 — CID 17386817

IUPAC2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H9ClFN3O4/c15-12-7-10(19(22)23)4-5-11(12)14(21)18-17-13(20)8-2-1-3-9(16)6-8/h1-7H,(H,17,20)(H,18,21)
InChIKeyBNLXWAYNDROYCX-UHFFFAOYSA-N
MW337.69 g/mol
LogP2.46
Rot. Bonds3

About 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide

2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide (PubChem CID 17386817) has the molecular formula C14H9ClFN3O4 and a molecular weight of 337.69 g/mol. Its IUPAC name is 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide
PubChem CID17386817
Molecular FormulaC14H9ClFN3O4
Molecular Weight337.69 g/mol
Exact Mass337.03
IUPAC Name2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H9ClFN3O4/c15-12-7-10(19(22)23)4-5-11(12)14(21)18-17-13(20)8-2-1-3-9(16)6-8/h1-7H,(H,17,20)(H,18,21)
InChIKeyBNLXWAYNDROYCX-UHFFFAOYSA-N
XLogP2.46
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
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

2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
(3-fluorophenyl) 2-chloro-4-nitrobenzoate
CID 7913748
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
CID 4508937
(3-fluorophenyl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 43012370
(3S)-3-(2-chloro-5-nitrophenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid
CID 7319511
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide
CID 9091707
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
benzamido 2-chloro-4-nitrobenzoate
CID 59855635
(E)-3-(2-chloro-5-nitrophenyl)-1-(3-fluorophenyl)prop-2-en-1-one
CID 35863944
5-bromo-2-fluoro-N'-(3-nitrobenzoyl)benzohydrazide
CID 9333738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide?
The IUPAC name of 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide (CID 17386817) is 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide?
The canonical SMILES for 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide is O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide?
The InChIKey is BNLXWAYNDROYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O4/c15-12-7-10(19(22)23)4-5-11(12)14(21)18-17-13(20)8-2-1-3-9(16)6-8/h1-7H,(H,17,20)(H,18,21).
What are the key properties of 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide?
2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide has a molecular weight of 337.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide is sourced from PubChem (CID 17386817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).