N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide

C20H23FN2O4 — CID 90599359

IUPACN'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC(C)(OC)c2ccccc2F)c1
InChIInChI=1S/C20H23FN2O4/c1-20(27-3,16-9-4-5-10-17(16)21)13-23-19(25)18(24)22-12-14-7-6-8-15(11-14)26-2/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZRHWCVOSOMXIAK-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.13
Rot. Bonds7

About N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide

N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide (PubChem CID 90599359) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide
PubChem CID90599359
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC(C)(OC)c2ccccc2F)c1
InChIInChI=1S/C20H23FN2O4/c1-20(27-3,16-9-4-5-10-17(16)21)13-23-19(25)18(24)22-12-14-7-6-8-15(11-14)26-2/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZRHWCVOSOMXIAK-UHFFFAOYSA-N
XLogP2.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide
CID 86856664
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-(3-methylphenyl)oxamide
CID 90599322
N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 90599351
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methoxyphenyl)propanamide
CID 71810627
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539
N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111
N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
CID 90599204
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide (CID 90599359) is N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide is COc1cccc(CNC(=O)C(=O)NCC(C)(OC)c2ccccc2F)c1.
What is the InChIKey of N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide?
The InChIKey is ZRHWCVOSOMXIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-20(27-3,16-9-4-5-10-17(16)21)13-23-19(25)18(24)22-12-14-7-6-8-15(11-14)26-2/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide?
N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide has a molecular weight of 374.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 90599359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).