N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide

C18H19FN2O3 — CID 95166112

IUPACN'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
SMILESCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)cc2)cc1F
InChIInChI=1S/C18H19FN2O3/c1-11-4-7-14(8-5-11)21-18(23)17(22)20-12(2)13-6-9-16(24-3)15(19)10-13/h4-10,12H,1-3H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyONMMQAHKKGDVRJ-LBPRGKRZSA-N
MW330.36 g/mol
LogP2.96
Rot. Bonds4

About N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide

N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide (PubChem CID 95166112) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
PubChem CID95166112
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
SMILESCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)cc2)cc1F
InChIInChI=1S/C18H19FN2O3/c1-11-4-7-14(8-5-11)21-18(23)17(22)20-12(2)13-6-9-16(24-3)15(19)10-13/h4-10,12H,1-3H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyONMMQAHKKGDVRJ-LBPRGKRZSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 71901746
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 30405257
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
CID 108510015
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108510196
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate
CID 99783927
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]benzoic acid
CID 43139175
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide (CID 95166112) is N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide is COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)cc2)cc1F.
What is the InChIKey of N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide?
The InChIKey is ONMMQAHKKGDVRJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-4-7-14(8-5-11)21-18(23)17(22)20-12(2)13-6-9-16(24-3)15(19)10-13/h4-10,12H,1-3H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide?
N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide has a molecular weight of 330.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 95166112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).