N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide

C18H19FN2O3 — CID 96532473

IUPACN-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
SMILESCOc1cccc(C[C@H](C)NC(=O)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3/c1-12(10-13-6-5-7-14(11-13)24-2)20-17(22)18(23)21-16-9-4-3-8-15(16)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyGDRQNESQDGPUGP-LBPRGKRZSA-N
MW330.36 g/mol
LogP2.52
Rot. Bonds5

About N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide

N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide (PubChem CID 96532473) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
PubChem CID96532473
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
SMILESCOc1cccc(C[C@H](C)NC(=O)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3/c1-12(10-13-6-5-7-14(11-13)24-2)20-17(22)18(23)21-16-9-4-3-8-15(16)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyGDRQNESQDGPUGP-LBPRGKRZSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.52
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-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532468
N-(4-fluoro-2-methylphenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532470
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 86943894
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95572852
N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide
CID 86856664
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide (CID 96532473) is N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide is COc1cccc(C[C@H](C)NC(=O)C(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide?
The InChIKey is GDRQNESQDGPUGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12(10-13-6-5-7-14(11-13)24-2)20-17(22)18(23)21-16-9-4-3-8-15(16)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide?
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide has a molecular weight of 330.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide is sourced from PubChem (CID 96532473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).