2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide

C14H9Cl2N3O5 — CID 4633443

IUPAC2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide
SMILESCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O5/c1-7-2-3-8(4-11(7)15)17-14(20)10-5-9(18(21)22)6-12(13(10)16)19(23)24/h2-6H,1H3,(H,17,20)
InChIKeyLSIGVDDXZHKUOS-UHFFFAOYSA-N
MW370.15 g/mol
LogP4.37
Rot. Bonds4

About 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide

2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide (PubChem CID 4633443) has the molecular formula C14H9Cl2N3O5 and a molecular weight of 370.15 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide
PubChem CID4633443
Molecular FormulaC14H9Cl2N3O5
Molecular Weight370.15 g/mol
Exact Mass368.99
IUPAC Name2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide
SMILESCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O5/c1-7-2-3-8(4-11(7)15)17-14(20)10-5-9(18(21)22)6-12(13(10)16)19(23)24/h2-6H,1H3,(H,17,20)
InChIKeyLSIGVDDXZHKUOS-UHFFFAOYSA-N
XLogP4.37
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 54.37
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

2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962
N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
CID 710986
N-(4-bromo-3-chlorophenyl)-2-methyl-3,5-dinitrobenzamide
CID 17256775
N-(3,4-dimethylphenyl)-2-methyl-3,5-dinitrobenzamide
CID 4630159
N-[4-(acetylsulfamoyl)phenyl]-2-chloro-3,5-dinitrobenzamide
CID 4633767
N-(4-butan-2-ylphenyl)-2-chloro-3,5-dinitrobenzamide
CID 4628423
N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
CID 63936506
N-(4-bromo-2-methylphenyl)-2-chloro-3,5-dinitrobenzamide
CID 4633258
2-chloro-3,5-dinitro-N-pyridin-3-ylbenzamide
CID 4633114
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-3,5-dinitrobenzamide
CID 3276114
2-chloro-N-(2-ethyl-6-methylphenyl)-3,5-dinitrobenzamide
CID 4633435

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide (CID 4633443) is 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide is Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide?
The InChIKey is LSIGVDDXZHKUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O5/c1-7-2-3-8(4-11(7)15)17-14(20)10-5-9(18(21)22)6-12(13(10)16)19(23)24/h2-6H,1H3,(H,17,20).
What are the key properties of 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide?
2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide has a molecular weight of 370.15 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide is sourced from PubChem (CID 4633443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).