N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide

C18H19FN2O2 — CID 60617251

IUPACN'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
SMILESCc1cccc(CCNC(=O)C(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H19FN2O2/c1-12-4-3-5-14(10-12)8-9-20-17(22)18(23)21-15-7-6-13(2)16(19)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGVDKVUKJQPETFG-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.74
Rot. Bonds4

About N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide

N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide (PubChem CID 60617251) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
PubChem CID60617251
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
SMILESCc1cccc(CCNC(=O)C(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H19FN2O2/c1-12-4-3-5-14(10-12)8-9-20-17(22)18(23)21-15-7-6-13(2)16(19)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGVDKVUKJQPETFG-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.74
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'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617178
N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 60551809
N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498673
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide
CID 167915427
N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 16837538
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 44998421
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
2,3-dimethyl-4-[2-(3-methylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 76992295
3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide
CID 58065193
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide (CID 60617251) is N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide is Cc1cccc(CCNC(=O)C(=O)Nc2ccc(C)c(F)c2)c1.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
The InChIKey is GVDKVUKJQPETFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-4-3-5-14(10-12)8-9-20-17(22)18(23)21-15-7-6-13(2)16(19)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide has a molecular weight of 314.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 60617251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).