3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide

C16H17N3O3 — CID 22057965

IUPAC3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O3/c1-11-7-8-13(10-15(11)19(21)22)17-16(20)12-5-4-6-14(9-12)18(2)3/h4-10H,1-3H3,(H,17,20)
InChIKeyIWOSKAIAUUOLCX-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.22
Rot. Bonds4

About 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide

3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 22057965) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID22057965
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O3/c1-11-7-8-13(10-15(11)19(21)22)17-16(20)12-5-4-6-14(9-12)18(2)3/h4-10H,1-3H3,(H,17,20)
InChIKeyIWOSKAIAUUOLCX-UHFFFAOYSA-N
XLogP3.22
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.22
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-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 84577418
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
3-(methanesulfonamido)-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265881
4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-nitrobenzamide
CID 126154265
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
3-[3-(aminomethyl)phenyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 166392213
N-(3-iodophenyl)-4-methyl-3-nitrobenzamide
CID 18076816
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide (CID 22057965) is 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1[N+](=O)[O-].
What is the InChIKey of 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is IWOSKAIAUUOLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-7-8-13(10-15(11)19(21)22)17-16(20)12-5-4-6-14(9-12)18(2)3/h4-10H,1-3H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide?
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 22057965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).