N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide

C17H16Cl2N4O4 — CID 9345745

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H16Cl2N4O4/c1-22(10-15(24)21-17-13(18)6-3-7-14(17)19)16(25)9-20-11-4-2-5-12(8-11)23(26)27/h2-8,20H,9-10H2,1H3,(H,21,24)
InChIKeyLFGUAAFETPJHFX-UHFFFAOYSA-N
MW411.25 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide (PubChem CID 9345745) has the molecular formula C17H16Cl2N4O4 and a molecular weight of 411.25 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide
PubChem CID9345745
Molecular FormulaC17H16Cl2N4O4
Molecular Weight411.25 g/mol
Exact Mass410.05
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H16Cl2N4O4/c1-22(10-15(24)21-17-13(18)6-3-7-14(17)19)16(25)9-20-11-4-2-5-12(8-11)23(26)27/h2-8,20H,9-10H2,1H3,(H,21,24)
InChIKeyLFGUAAFETPJHFX-UHFFFAOYSA-N
XLogP3.41
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 7942128
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
CID 31680461
N-methyl-2-(3-nitroanilino)-N-phenylacetamide
CID 9298118
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
1-(3-nitroanilino)propan-2-one
CID 141021170
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 27807402
N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 39093599
2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 99818120
1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea
CID 27868402
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 38508977

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide (CID 9345745) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide?
The InChIKey is LFGUAAFETPJHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O4/c1-22(10-15(24)21-17-13(18)6-3-7-14(17)19)16(25)9-20-11-4-2-5-12(8-11)23(26)27/h2-8,20H,9-10H2,1H3,(H,21,24).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide has a molecular weight of 411.25 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide is sourced from PubChem (CID 9345745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).