N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide

C14H10ClN3O5 — CID 4985989

IUPACN-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN3O5/c1-8-6-9(2-5-13(8)18(22)23)14(19)16-12-4-3-10(17(20)21)7-11(12)15/h2-7H,1H3,(H,16,19)
InChIKeyZYFCAJRUDBMQEN-UHFFFAOYSA-N
MW335.70 g/mol
LogP3.72
Rot. Bonds4

About N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide

N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide (PubChem CID 4985989) has the molecular formula C14H10ClN3O5 and a molecular weight of 335.70 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
PubChem CID4985989
Molecular FormulaC14H10ClN3O5
Molecular Weight335.70 g/mol
Exact Mass335.03
IUPAC NameN-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN3O5/c1-8-6-9(2-5-13(8)18(22)23)14(19)16-12-4-3-10(17(20)21)7-11(12)15/h2-7H,1H3,(H,16,19)
InChIKeyZYFCAJRUDBMQEN-UHFFFAOYSA-N
XLogP3.72
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 53.72
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

N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 4512622
N-[(2-chloro-4-nitrophenyl)carbamothioyl]-4-methylbenzamide
CID 2897777
N-(2-chloro-4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3835365
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
4-methyl-3-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 7365047

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide (CID 4985989) is N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide is Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide?
The InChIKey is ZYFCAJRUDBMQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O5/c1-8-6-9(2-5-13(8)18(22)23)14(19)16-12-4-3-10(17(20)21)7-11(12)15/h2-7H,1H3,(H,16,19).
What are the key properties of N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide?
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide has a molecular weight of 335.70 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 4985989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).