N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide

C20H24N4O4 — CID 7551785

IUPACN-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1
InChIInChI=1S/C20H24N4O4/c1-5-23(6-2)20(26)14-7-9-15(10-8-14)21-19(25)17-13-16(24(27)28)11-12-18(17)22(3)4/h7-13H,5-6H2,1-4H3,(H,21,25)
InChIKeyUQGLVXSTSPOUJX-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.40
Rot. Bonds7

About N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide

N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide (PubChem CID 7551785) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
PubChem CID7551785
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1
InChIInChI=1S/C20H24N4O4/c1-5-23(6-2)20(26)14-7-9-15(10-8-14)21-19(25)17-13-16(24(27)28)11-12-18(17)22(3)4/h7-13H,5-6H2,1-4H3,(H,21,25)
InChIKeyUQGLVXSTSPOUJX-UHFFFAOYSA-N
XLogP3.40
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
CID 8762252
2-(dimethylamino)-N-[4-(methylsulfamoyl)phenyl]-5-nitrobenzamide
CID 9188395
2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
CID 43012608
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 26521170
2-(dimethylamino)-5-nitro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188138
N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
CID 39677239
2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide
CID 55611030
4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
CID 17196099
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(dimethylamino)-5-nitrobenzamide
CID 18098111
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55341891
2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide
CID 78798198
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide (CID 7551785) is N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide?
The InChIKey is UQGLVXSTSPOUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-5-23(6-2)20(26)14-7-9-15(10-8-14)21-19(25)17-13-16(24(27)28)11-12-18(17)22(3)4/h7-13H,5-6H2,1-4H3,(H,21,25).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide?
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide has a molecular weight of 384.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide is sourced from PubChem (CID 7551785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).