2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide

C16H14Cl2N2O3 — CID 4702472

IUPAC2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide
SMILESCC(CNC(=O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14Cl2N2O3/c1-10(11-5-7-12(8-6-11)20(22)23)9-19-16(21)15-13(17)3-2-4-14(15)18/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyKHLWGNRSAPYCTM-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.44
Rot. Bonds5

About 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide

2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide (PubChem CID 4702472) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide
PubChem CID4702472
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide
SMILESCC(CNC(=O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14Cl2N2O3/c1-10(11-5-7-12(8-6-11)20(22)23)9-19-16(21)15-13(17)3-2-4-14(15)18/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyKHLWGNRSAPYCTM-UHFFFAOYSA-N
XLogP4.44
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.44
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-5-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 3706142
4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-nitrobenzamide
CID 3514211
n-(4-Phenylphenyl)-(2-chloro-5-nitrophenyl)carboxamide
CID 7712569
2-chloro-4-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 51203559
2-Chloro-N-(4-methylphenyl)-5-nitrobenzamide
CID 603507
2-chloro-N-cyclohexyl-5-nitrobenzamide
CID 711421
2,4-dichloro-N-(4-nitrophenyl)benzamide
CID 347057
2-chloro-N-(3-chloro-4-methylphenyl)-4-nitrobenzamide
CID 710878
2-chloro-N-[4-(dimethylamino)phenyl]-4-nitrobenzamide
CID 723751
2-chloro-N-(2-chlorobenzyl)-5-nitrobenzamide
CID 881002
2-chloro-N-(4-chlorobenzyl)-5-nitrobenzamide
CID 881163

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide (CID 4702472) is 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide is CC(CNC(=O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide?
The InChIKey is KHLWGNRSAPYCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-10(11-5-7-12(8-6-11)20(22)23)9-19-16(21)15-13(17)3-2-4-14(15)18/h2-8,10H,9H2,1H3,(H,19,21).
What are the key properties of 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide?
2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide has a molecular weight of 353.21 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide is sourced from PubChem (CID 4702472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).