N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide

C19H21ClN4O4 — CID 108512851

IUPACN-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C19H21ClN4O4/c1-4-23(5-2)14-7-9-16(12(3)10-14)22-19(26)18(25)21-13-6-8-15(20)17(11-13)24(27)28/h6-11H,4-5H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyIJTARVLEKODACC-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.98
Rot. Bonds6

About N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide

N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide (PubChem CID 108512851) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
PubChem CID108512851
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC NameN-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C19H21ClN4O4/c1-4-23(5-2)14-7-9-16(12(3)10-14)22-19(26)18(25)21-13-6-8-15(20)17(11-13)24(27)28/h6-11H,4-5H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyIJTARVLEKODACC-UHFFFAOYSA-N
XLogP3.98
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108512870
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529290
N'-benzyl-N-(4-chloro-3-nitrophenyl)-N'-ethyloxamide
CID 108512739
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide (CID 108512851) is N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
The InChIKey is IJTARVLEKODACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-4-23(5-2)14-7-9-16(12(3)10-14)22-19(26)18(25)21-13-6-8-15(20)17(11-13)24(27)28/h6-11H,4-5H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide has a molecular weight of 404.85 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide is sourced from PubChem (CID 108512851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).