3-chloro-2-methyl-6-nitrobenzamide

C8H7ClN2O3 — CID 131072971

IUPAC3-chloro-2-methyl-6-nitrobenzamide
SMILESCc1c(Cl)ccc([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C8H7ClN2O3/c1-4-5(9)2-3-6(11(13)14)7(4)8(10)12/h2-3H,1H3,(H2,10,12)
InChIKeyWYXIYNXKWYNKJN-UHFFFAOYSA-N
MW214.61 g/mol
LogP1.66
Rot. Bonds2

About 3-chloro-2-methyl-6-nitrobenzamide

3-chloro-2-methyl-6-nitrobenzamide (PubChem CID 131072971) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is 3-chloro-2-methyl-6-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-6-nitrobenzamide
PubChem CID131072971
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name3-chloro-2-methyl-6-nitrobenzamide
SMILESCc1c(Cl)ccc([N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C8H7ClN2O3/c1-4-5(9)2-3-6(11(13)14)7(4)8(10)12/h2-3H,1H3,(H2,10,12)
InChIKeyWYXIYNXKWYNKJN-UHFFFAOYSA-N
XLogP1.66
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 51.66
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

2,6-dimethyl-3-nitrobenzamide
CID 118992531
2-chloro-3-iodo-6-nitrobenzamide
CID 171004630
1-chloro-2-methyl-3-methylsulfanyl-4-nitrobenzene
CID 91881182
3-(3-chloro-2-methyl-6-nitrophenyl)-2-oxopropanoic acid
CID 21396339
2-(3-chloro-2-methyl-6-nitroanilino)ethyl carbamate
CID 112740994
3-chloro-2-fluoro-6-nitrobenzoic acid
CID 130848879
3-chloro-2-methyl-6-nitrobenzaldehyde
CID 130966517
ethyl 2,6-dichloro-3-nitrobenzoate
CID 43448985
1-(3-chloro-2-methyl-6-nitrophenyl)butan-2-one
CID 18946990
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
1-chloro-2-methyl-3-nitrobenzene
CID 6740
1-(6-chloro-2-fluoro-3-nitrophenyl)ethanone
CID 171008037

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-6-nitrobenzamide?
The IUPAC name of 3-chloro-2-methyl-6-nitrobenzamide (CID 131072971) is 3-chloro-2-methyl-6-nitrobenzamide.
What is the SMILES notation for 3-chloro-2-methyl-6-nitrobenzamide?
The canonical SMILES for 3-chloro-2-methyl-6-nitrobenzamide is Cc1c(Cl)ccc([N+](=O)[O-])c1C(N)=O.
What is the InChIKey of 3-chloro-2-methyl-6-nitrobenzamide?
The InChIKey is WYXIYNXKWYNKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c1-4-5(9)2-3-6(11(13)14)7(4)8(10)12/h2-3H,1H3,(H2,10,12).
What are the key properties of 3-chloro-2-methyl-6-nitrobenzamide?
3-chloro-2-methyl-6-nitrobenzamide has a molecular weight of 214.61 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-6-nitrobenzamide is sourced from PubChem (CID 131072971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).