N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide

C16H15N3O4 — CID 4824063

IUPACN,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-18(2)16(21)12-3-7-13(8-4-12)17-15(20)11-5-9-14(10-6-11)19(22)23/h3-10H,1-2H3,(H,17,20)
InChIKeyNYSZLHYTOWTUAO-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.55
Rot. Bonds4

About N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide

N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 4824063) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
PubChem CID4824063
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-18(2)16(21)12-3-7-13(8-4-12)17-15(20)11-5-9-14(10-6-11)19(22)23/h3-10H,1-2H3,(H,17,20)
InChIKeyNYSZLHYTOWTUAO-UHFFFAOYSA-N
XLogP2.55
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.55
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-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231135
4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
CID 17196099
N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 675941
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 32943243
N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide
CID 5109198
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide (CID 4824063) is N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is NYSZLHYTOWTUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-18(2)16(21)12-3-7-13(8-4-12)17-15(20)11-5-9-14(10-6-11)19(22)23/h3-10H,1-2H3,(H,17,20).
What are the key properties of N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide?
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 313.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 4824063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).