N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide

C18H18ClFN2O4 — CID 118494419

IUPACN-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)c(CF)c2)cc1OC
InChIInChI=1S/C18H18ClFN2O4/c1-25-15-6-4-13(8-16(15)26-2)22-18(24)17(23)21-10-11-3-5-14(19)12(7-11)9-20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLJZOFOACXJLNBF-UHFFFAOYSA-N
MW380.80 g/mol
LogP3.08
Rot. Bonds6

About N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide

N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide (PubChem CID 118494419) has the molecular formula C18H18ClFN2O4 and a molecular weight of 380.80 g/mol. Its IUPAC name is N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide
PubChem CID118494419
Molecular FormulaC18H18ClFN2O4
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC NameN-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)c(CF)c2)cc1OC
InChIInChI=1S/C18H18ClFN2O4/c1-25-15-6-4-13(8-16(15)26-2)22-18(24)17(23)21-10-11-3-5-14(19)12(7-11)9-20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLJZOFOACXJLNBF-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985903
N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86995659
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N'-(4-chloro-3-methoxyphenyl)-N-(cyanomethyl)oxamide
CID 107621880
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide
CID 43315993
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide?
The IUPAC name of N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide (CID 118494419) is N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide.
What is the SMILES notation for N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide?
The canonical SMILES for N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCc2ccc(Cl)c(CF)c2)cc1OC.
What is the InChIKey of N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide?
The InChIKey is LJZOFOACXJLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4/c1-25-15-6-4-13(8-16(15)26-2)22-18(24)17(23)21-10-11-3-5-14(19)12(7-11)9-20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide?
N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide has a molecular weight of 380.80 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide is sourced from PubChem (CID 118494419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).