N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide

C17H15Cl2N3O3 — CID 71888764

IUPACN'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide
SMILESCN(CC(N)=O)C(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-22(9-15(20)23)17(25)16(24)21-12-4-2-3-10(7-12)11-5-6-13(18)14(19)8-11/h2-8H,9H2,1H3,(H2,20,23)(H,21,24)
InChIKeyNIUBIUMSNYPFJP-UHFFFAOYSA-N
MW380.23 g/mol
LogP2.54
Rot. Bonds4

About N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide

N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide (PubChem CID 71888764) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide
PubChem CID71888764
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC NameN'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide
SMILESCN(CC(N)=O)C(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-22(9-15(20)23)17(25)16(24)21-12-4-2-3-10(7-12)11-5-6-13(18)14(19)8-11/h2-8H,9H2,1H3,(H2,20,23)(H,21,24)
InChIKeyNIUBIUMSNYPFJP-UHFFFAOYSA-N
XLogP2.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-chlorobenzoic acid
CID 61197673
N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 118026813
N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108516095
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide
CID 58006576
4-(3,4-dichlorophenyl)benzamide
CID 141087497
N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
CID 31680461
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(3,4-dichlorophenyl)-1-methylurea
CID 54991673
[3-[4-(aminomethyl)phenyl]phenyl]urea
CID 141415129
1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 55698785
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 9198233

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide?
The IUPAC name of N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide (CID 71888764) is N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide.
What is the SMILES notation for N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide?
The canonical SMILES for N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide is CN(CC(N)=O)C(=O)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide?
The InChIKey is NIUBIUMSNYPFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-22(9-15(20)23)17(25)16(24)21-12-4-2-3-10(7-12)11-5-6-13(18)14(19)8-11/h2-8H,9H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide?
N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide has a molecular weight of 380.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide is sourced from PubChem (CID 71888764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).