N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide

C12H12Cl2FN3O3 — CID 167889327

IUPACN-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H12Cl2FN3O3/c1-6(19)16-2-3-17-11(20)12(21)18-7-4-8(13)10(15)9(14)5-7/h4-5H,2-3H2,1H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyGEDRNJHVJGLJBA-UHFFFAOYSA-N
MW336.15 g/mol
LogP1.32
Rot. Bonds4

About N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide

N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide (PubChem CID 167889327) has the molecular formula C12H12Cl2FN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide
PubChem CID167889327
Molecular FormulaC12H12Cl2FN3O3
Molecular Weight336.15 g/mol
Exact Mass335.02
IUPAC NameN-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C12H12Cl2FN3O3/c1-6(19)16-2-3-17-11(20)12(21)18-7-4-8(13)10(15)9(14)5-7/h4-5H,2-3H2,1H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyGEDRNJHVJGLJBA-UHFFFAOYSA-N
XLogP1.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515875
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
CID 47226214
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxyethyl)oxamide
CID 7585032
N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
CID 47226224
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
N-(3,5-dichloro-4-iodophenyl)acetamide
CID 156599788
N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
CID 107529850
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107574504
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
CID 4167970
3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
CID 107574011

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide (CID 167889327) is N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide is CC(=O)NCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide?
The InChIKey is GEDRNJHVJGLJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FN3O3/c1-6(19)16-2-3-17-11(20)12(21)18-7-4-8(13)10(15)9(14)5-7/h4-5H,2-3H2,1H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide?
N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide has a molecular weight of 336.15 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide is sourced from PubChem (CID 167889327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).