N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide

C16H13Cl2FN2O2 — CID 43906812

IUPACN-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13Cl2FN2O2/c1-9(10-2-4-13(19)5-3-10)20-15(22)16(23)21-14-7-11(17)6-12(18)8-14/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyHEXZHMDVKYBOJB-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.95
Rot. Bonds3

About N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide

N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide (PubChem CID 43906812) has the molecular formula C16H13Cl2FN2O2 and a molecular weight of 355.20 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide
PubChem CID43906812
Molecular FormulaC16H13Cl2FN2O2
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC NameN-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13Cl2FN2O2/c1-9(10-2-4-13(19)5-3-10)20-15(22)16(23)21-14-7-11(17)6-12(18)8-14/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyHEXZHMDVKYBOJB-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 30405257
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
ethyl 4-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoacetyl]amino]benzoate
CID 30405268
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 95275450
N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
CID 44998519
N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511128
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 84836162

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide (CID 43906812) is N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide is CC(NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is HEXZHMDVKYBOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2/c1-9(10-2-4-13(19)5-3-10)20-15(22)16(23)21-14-7-11(17)6-12(18)8-14/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide?
N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 355.20 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 43906812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).