N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide

C15H13ClN4O5 — CID 155559598

IUPACN-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide
SMILESCN(C)c1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN4O5/c1-18(2)14-12(19(22)23)7-9(8-13(14)20(24)25)15(21)17-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,21)
InChIKeyVBCKPHPGRHYZPC-UHFFFAOYSA-N
MW364.75 g/mol
LogP3.47
Rot. Bonds5

About N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide

N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide (PubChem CID 155559598) has the molecular formula C15H13ClN4O5 and a molecular weight of 364.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide
PubChem CID155559598
Molecular FormulaC15H13ClN4O5
Molecular Weight364.75 g/mol
Exact Mass364.06
IUPAC NameN-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide
SMILESCN(C)c1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN4O5/c1-18(2)14-12(19(22)23)7-9(8-13(14)20(24)25)15(21)17-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,21)
InChIKeyVBCKPHPGRHYZPC-UHFFFAOYSA-N
XLogP3.47
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
CID 7900586
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
4-chloro-N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 874387
N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
CID 62680843
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
methyl 4-[(4-chloro-3,5-dinitrobenzoyl)amino]benzoate
CID 4633777
4-methyl-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19174835
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
methyl 3-[(4-chlorophenyl)carbamoyl]-5-nitrobenzoate
CID 690575
4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,5-dinitrobenzamide
CID 11502581
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 2279055
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide (CID 155559598) is N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide is CN(C)c1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide?
The InChIKey is VBCKPHPGRHYZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O5/c1-18(2)14-12(19(22)23)7-9(8-13(14)20(24)25)15(21)17-11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,21).
What are the key properties of N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide?
N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide has a molecular weight of 364.75 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(dimethylamino)-3,5-dinitrobenzamide is sourced from PubChem (CID 155559598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).