N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide

C18H18ClFN2O4 — CID 90623593

IUPACN'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(C(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)OC)c1
InChIInChI=1S/C18H18ClFN2O4/c1-25-13-5-3-4-11(8-13)16(26-2)10-21-17(23)18(24)22-12-6-7-15(20)14(19)9-12/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPXLGFKARNCYQEN-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.93
Rot. Bonds6

About N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide

N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide (PubChem CID 90623593) has the molecular formula C18H18ClFN2O4 and a molecular weight of 380.80 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
PubChem CID90623593
Molecular FormulaC18H18ClFN2O4
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(C(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)OC)c1
InChIInChI=1S/C18H18ClFN2O4/c1-25-13-5-3-4-11(8-13)16(26-2)10-21-17(23)18(24)22-12-6-7-15(20)14(19)9-12/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPXLGFKARNCYQEN-UHFFFAOYSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623549
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 44998421
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623201
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623652
N'-cyclopropyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168551
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649
1-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90623654

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide (CID 90623593) is N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide is COc1cccc(C(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)OC)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
The InChIKey is PXLGFKARNCYQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4/c1-25-13-5-3-4-11(8-13)16(26-2)10-21-17(23)18(24)22-12-6-7-15(20)14(19)9-12/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide has a molecular weight of 380.80 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 90623593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).