N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide

C14H10Cl2N2O3 — CID 799096

IUPACN-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
InChIKeyNKIJNFMSYDSAJK-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide

N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide (PubChem CID 799096) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
PubChem CID799096
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC NameN-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
InChIKeyNKIJNFMSYDSAJK-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

2-Chloro-5-nitrobenzanilide
CID 644213
N-(3,4-Dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 773731
2-Chloro-4'-nitrobenzanilide
CID 2787761
4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 711259
4-Chloro-3-nitrobenzanilide
CID 96073
2-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 773693
N-(3,4-difluorophenyl)-2-methyl-3-nitrobenzamide
CID 870967
N-(3-chloro-4-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 2852875
3-[(3-chlorophenyl)amino]-4-(2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539460
N-[4-(2,2-dichlorocyclopropyl)phenyl]-3-nitrobenzamide
CID 5297899
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
(2E)-N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677890

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide (CID 799096) is N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide is Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide?
The InChIKey is NKIJNFMSYDSAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19).
What are the key properties of N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide?
N-(3,5-dichlorophenyl)-2-methyl-3-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-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 799096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).