N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide

C14H10Cl2N2O3 — CID 5070149

IUPACN-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl2N2O3/c1-8-3-2-4-10(13(8)18(20)21)14(19)17-12-6-5-9(15)7-11(12)16/h2-7H,1H3,(H,17,19)
InChIKeyNYNCGNRTDYOHCG-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide

N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide (PubChem CID 5070149) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide
PubChem CID5070149
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC NameN-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl2N2O3/c1-8-3-2-4-10(13(8)18(20)21)14(19)17-12-6-5-9(15)7-11(12)16/h2-7H,1H3,(H,17,19)
InChIKeyNYNCGNRTDYOHCG-UHFFFAOYSA-N
XLogP4.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.46
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

N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 64793485
N-(2-bromo-4-methylphenyl)-3-methyl-2-nitrobenzamide
CID 7929827
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-2-nitrobenzamide
CID 17427318
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599
N-(2-carbamoyl-3-methylphenyl)-3-methyl-2-nitrobenzamide
CID 87006002
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
N-[(2,4-dichlorophenyl)carbamothioyl]-2-methyl-3-nitrobenzamide
CID 1344873
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide
CID 115548490
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide (CID 5070149) is N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide is Cc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-].
What is the InChIKey of N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide?
The InChIKey is NYNCGNRTDYOHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-8-3-2-4-10(13(8)18(20)21)14(19)17-12-6-5-9(15)7-11(12)16/h2-7H,1H3,(H,17,19).
What are the key properties of N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide?
N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide has a molecular weight of 325.15 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 5070149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).