N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide

C12H16ClN3O4 — CID 108516166

IUPACN'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(N)cc1Cl)OC
InChIInChI=1S/C12H16ClN3O4/c1-19-10(20-2)6-15-11(17)12(18)16-9-4-3-7(14)5-8(9)13/h3-5,10H,6,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBLAQADKEEGJREK-UHFFFAOYSA-N
MW301.73 g/mol
LogP0.60
Rot. Bonds5

About N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide

N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide (PubChem CID 108516166) has the molecular formula C12H16ClN3O4 and a molecular weight of 301.73 g/mol. Its IUPAC name is N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
PubChem CID108516166
Molecular FormulaC12H16ClN3O4
Molecular Weight301.73 g/mol
Exact Mass301.08
IUPAC NameN'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(N)cc1Cl)OC
InChIInChI=1S/C12H16ClN3O4/c1-19-10(20-2)6-15-11(17)12(18)16-9-4-3-7(14)5-8(9)13/h3-5,10H,6,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBLAQADKEEGJREK-UHFFFAOYSA-N
XLogP0.60
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(4-amino-2-chlorophenyl)-N-(2-hydroxypropyl)oxamide
CID 108516000
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530058
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516409
N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034
N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
ethyl 4-[[2-(4-amino-2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108500047
N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530028
N-(2,2-dimethoxyethyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 146080919

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide (CID 108516166) is N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)Nc1ccc(N)cc1Cl)OC.
What is the InChIKey of N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The InChIKey is BLAQADKEEGJREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4/c1-19-10(20-2)6-15-11(17)12(18)16-9-4-3-7(14)5-8(9)13/h3-5,10H,6,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide has a molecular weight of 301.73 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 108516166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).