N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide

C16H10ClFN4O3 — CID 26409874

IUPACN-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10ClFN4O3/c17-11-2-3-13(12(18)8-11)20-16(23)10-1-4-14(15(7-10)22(24)25)21-6-5-19-9-21/h1-9H,(H,20,23)
InChIKeySMWWSTLLIQCHDI-UHFFFAOYSA-N
MW360.73 g/mol
LogP3.83
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide

N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide (PubChem CID 26409874) has the molecular formula C16H10ClFN4O3 and a molecular weight of 360.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
PubChem CID26409874
Molecular FormulaC16H10ClFN4O3
Molecular Weight360.73 g/mol
Exact Mass360.04
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10ClFN4O3/c17-11-2-3-13(12(18)8-11)20-16(23)10-1-4-14(15(7-10)22(24)25)21-6-5-19-9-21/h1-9H,(H,20,23)
InChIKeySMWWSTLLIQCHDI-UHFFFAOYSA-N
XLogP3.83
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.73
LogP ≤ 53.83
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide
CID 56518476
N-[5-chloro-2-(propylcarbamoyl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 52699656
4-imidazol-1-yl-N-(4-methylphenyl)-3-nitrobenzamide
CID 26086024
4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide
CID 7996640
4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide
CID 39286914
N-(4-chloro-2-methoxy-5-methylphenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 39044462
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60535989
3-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-N,2-dimethylbenzamide
CID 46454270
N-(3-chloro-4-propan-2-yloxyphenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 39410127
N-[2,6-di(propan-2-yl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 55335183
3-nitro-4-(1,2,4-triazol-1-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 17405243
N-[2-(4-fluorophenyl)ethyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 39044091

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide (CID 26409874) is N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide?
The InChIKey is SMWWSTLLIQCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O3/c17-11-2-3-13(12(18)8-11)20-16(23)10-1-4-14(15(7-10)22(24)25)21-6-5-19-9-21/h1-9H,(H,20,23).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide?
N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide has a molecular weight of 360.73 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide is sourced from PubChem (CID 26409874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).