N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide

C15H14ClN3O3 — CID 7900586

IUPACN-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O3/c1-18(2)13-8-3-10(9-14(13)19(21)22)15(20)17-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,17,20)
InChIKeyIBRZYNCDABEDFW-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.57
Rot. Bonds4

About N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide

N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide (PubChem CID 7900586) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
PubChem CID7900586
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O3/c1-18(2)13-8-3-10(9-14(13)19(21)22)15(20)17-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,17,20)
InChIKeyIBRZYNCDABEDFW-UHFFFAOYSA-N
XLogP3.57
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3,5-dinitrobenzamide
CID 155559598
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
N-[(4-chlorophenyl)methyl]-4-(dimethylamino)-3-nitrobenzamide
CID 27660355
4-(dimethylamino)-3-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 108739278
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(dimethylamino)-3-nitrobenzamide
CID 8702070
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
4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
CID 35027996
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 2279055
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide (CID 7900586) is N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide is CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide?
The InChIKey is IBRZYNCDABEDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-18(2)13-8-3-10(9-14(13)19(21)22)15(20)17-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide?
N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide has a molecular weight of 319.75 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide is sourced from PubChem (CID 7900586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).