N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide

C22H18F2N2O2 — CID 86856671

IUPACN-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide
SMILESCc1ccc(C(NC(=O)C(=O)Nc2cccc(F)c2F)c2ccccc2)cc1
InChIInChI=1S/C22H18F2N2O2/c1-14-10-12-16(13-11-14)20(15-6-3-2-4-7-15)26-22(28)21(27)25-18-9-5-8-17(23)19(18)24/h2-13,20H,1H3,(H,25,27)(H,26,28)
InChIKeyYPOIADLZLHYBMJ-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.12
Rot. Bonds4

About N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide

N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide (PubChem CID 86856671) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide
PubChem CID86856671
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC NameN-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide
SMILESCc1ccc(C(NC(=O)C(=O)Nc2cccc(F)c2F)c2ccccc2)cc1
InChIInChI=1S/C22H18F2N2O2/c1-14-10-12-16(13-11-14)20(15-6-3-2-4-7-15)26-22(28)21(27)25-18-9-5-8-17(23)19(18)24/h2-13,20H,1H3,(H,25,27)(H,26,28)
InChIKeyYPOIADLZLHYBMJ-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.12
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

1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 86856228
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
2-amino-N-(2,3-difluorophenyl)-2-phenylacetamide
CID 61077017
N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide
CID 111456276
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide
CID 146132621
N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide
CID 86856670
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide?
The IUPAC name of N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide (CID 86856671) is N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide is Cc1ccc(C(NC(=O)C(=O)Nc2cccc(F)c2F)c2ccccc2)cc1.
What is the InChIKey of N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide?
The InChIKey is YPOIADLZLHYBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-14-10-12-16(13-11-14)20(15-6-3-2-4-7-15)26-22(28)21(27)25-18-9-5-8-17(23)19(18)24/h2-13,20H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide?
N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide has a molecular weight of 380.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide is sourced from PubChem (CID 86856671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).