N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide

C17H15F3N2O4 — CID 86995659

IUPACN'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1OC(F)F
InChIInChI=1S/C17H15F3N2O4/c1-25-13-7-6-12(8-14(13)26-17(19)20)22-16(24)15(23)21-9-10-2-4-11(18)5-3-10/h2-8,17H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyBCKLRXFKYWDXQS-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.69
Rot. Bonds6

About N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide

N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 86995659) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID86995659
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC NameN'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1OC(F)F
InChIInChI=1S/C17H15F3N2O4/c1-25-13-7-6-12(8-14(13)26-17(19)20)22-16(24)15(23)21-9-10-2-4-11(18)5-3-10/h2-8,17H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyBCKLRXFKYWDXQS-UHFFFAOYSA-N
XLogP2.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.69
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'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 51122096
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 118494419
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440
3-(difluoromethoxy)-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 43731316
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985903

Frequently Asked Questions

What is the IUPAC name of N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide (CID 86995659) is N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide is COc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1OC(F)F.
What is the InChIKey of N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is BCKLRXFKYWDXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-25-13-7-6-12(8-14(13)26-17(19)20)22-16(24)15(23)21-9-10-2-4-11(18)5-3-10/h2-8,17H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide?
N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 368.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 86995659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).