5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide

C15H11Cl2FN2O3 — CID 18079967

IUPAC5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2FN2O3/c1-19(8-11-12(17)3-2-4-13(11)18)15(21)10-7-9(16)5-6-14(10)20(22)23/h2-7H,8H2,1H3
InChIKeyCPVLYBRRUVCKPQ-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.31
Rot. Bonds4

About 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide

5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide (PubChem CID 18079967) has the molecular formula C15H11Cl2FN2O3 and a molecular weight of 357.17 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
PubChem CID18079967
Molecular FormulaC15H11Cl2FN2O3
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC Name5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2FN2O3/c1-19(8-11-12(17)3-2-4-13(11)18)15(21)10-7-9(16)5-6-14(10)20(22)23/h2-7H,8H2,1H3
InChIKeyCPVLYBRRUVCKPQ-UHFFFAOYSA-N
XLogP4.31
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
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

4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18112157
(2-chloro-6-fluorophenyl)methyl 5-chloro-2-nitrobenzoate
CID 2602590
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301
4-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 4794792
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-2-nitrobenzamide
CID 60785453
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
5-chloro-N-methyl-N-(3-methylbutyl)-2-nitrobenzamide
CID 60741147
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 31361245

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide (CID 18079967) is 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide?
The InChIKey is CPVLYBRRUVCKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O3/c1-19(8-11-12(17)3-2-4-13(11)18)15(21)10-7-9(16)5-6-14(10)20(22)23/h2-7H,8H2,1H3.
What are the key properties of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide?
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide has a molecular weight of 357.17 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 18079967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).