N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide

C18H19FN2O2 — CID 60617178

IUPACN'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
SMILESCc1cccc(CCNC(=O)C(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-12-4-3-5-14(10-12)8-9-20-17(22)18(23)21-16-11-13(2)6-7-15(16)19/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJVSWKYUKLONCFI-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.74
Rot. Bonds4

About N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide

N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide (PubChem CID 60617178) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
PubChem CID60617178
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
SMILESCc1cccc(CCNC(=O)C(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-12-4-3-5-14(10-12)8-9-20-17(22)18(23)21-16-11-13(2)6-7-15(16)19/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJVSWKYUKLONCFI-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'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617251
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
2,3-dimethyl-4-[2-(3-methylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 76992295
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N-(2,2-dimethoxyethyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 146080919
N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 48894696
3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42990299
2-fluoro-N-[2-(3-methylphenyl)ethyl]-5-sulfanylbenzamide
CID 107028207
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108986593

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
The IUPAC name of N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide (CID 60617178) is N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide is Cc1cccc(CCNC(=O)C(=O)Nc2cc(C)ccc2F)c1.
What is the InChIKey of N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
The InChIKey is JVSWKYUKLONCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-4-3-5-14(10-12)8-9-20-17(22)18(23)21-16-11-13(2)6-7-15(16)19/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
N'-(2-fluoro-5-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'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 60617178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).