N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide

C19H21N3O4 — CID 43010536

IUPACN,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O4/c1-3-21(4-2)19(24)15-6-5-7-16(13-15)20-18(23)12-14-8-10-17(11-9-14)22(25)26/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)
InChIKeyGZSDIQQKQWZKKK-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.26
Rot. Bonds7

About N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide

N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide (PubChem CID 43010536) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide
PubChem CID43010536
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O4/c1-3-21(4-2)19(24)15-6-5-7-16(13-15)20-18(23)12-14-8-10-17(11-9-14)22(25)26/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)
InChIKeyGZSDIQQKQWZKKK-UHFFFAOYSA-N
XLogP3.26
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.26
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-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-[3-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 26289356
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 42628397
N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
CID 8648051
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
N-(3-methylphenyl)-2-[4-[(4-nitrophenyl)methylamino]phenyl]acetamide
CID 42852606
3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N,N-dipropylbenzamide
CID 26162561
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide (CID 43010536) is N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide?
The InChIKey is GZSDIQQKQWZKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-21(4-2)19(24)15-6-5-7-16(13-15)20-18(23)12-14-8-10-17(11-9-14)22(25)26/h5-11,13H,3-4,12H2,1-2H3,(H,20,23).
What are the key properties of N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide?
N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide has a molecular weight of 355.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide is sourced from PubChem (CID 43010536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).