2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide

C15H12ClFN2O3 — CID 35613298

IUPAC2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
SMILESO=C(NCCc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H12ClFN2O3/c16-13-6-5-11(19(21)22)9-12(13)15(20)18-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8H2,(H,18,20)
InChIKeyMDRMVJGSOPEFSN-UHFFFAOYSA-N
MW322.72 g/mol
LogP3.36
Rot. Bonds5

About 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide

2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide (PubChem CID 35613298) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
PubChem CID35613298
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
SMILESO=C(NCCc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H12ClFN2O3/c16-13-6-5-11(19(21)22)9-12(13)15(20)18-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8H2,(H,18,20)
InChIKeyMDRMVJGSOPEFSN-UHFFFAOYSA-N
XLogP3.36
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
2-(dimethylamino)-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 31746360
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
N-[(2-chloro-5-nitrophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43462250
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 2213152
2-chloro-5-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175918
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloro-5-nitrobenzamide
CID 18159591
2-chloro-N-heptyl-5-nitrobenzamide
CID 5111149
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9269435
2-chloro-N-(4-methoxybutyl)-5-nitrobenzamide
CID 60789022
2-chloro-N-[2-(2-chloro-4-nitroanilino)ethyl]-4,5-difluorobenzamide
CID 2845121

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide (CID 35613298) is 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide is O=C(NCCc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide?
The InChIKey is MDRMVJGSOPEFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-13-6-5-11(19(21)22)9-12(13)15(20)18-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8H2,(H,18,20).
What are the key properties of 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide?
2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide has a molecular weight of 322.72 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide is sourced from PubChem (CID 35613298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).