N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide

C22H26FNO3 — CID 97428383

IUPACN-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide
SMILESCO[C@](C)(CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1F
InChIInChI=1S/C22H26FNO3/c1-21(26-2,18-10-6-7-11-19(18)23)16-24-20(25)22(12-14-27-15-13-22)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyFWMFVLDGFJMACZ-OAQYLSRUSA-N
MW371.45 g/mol
LogP3.55
Rot. Bonds6

About N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide

N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide (PubChem CID 97428383) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide
PubChem CID97428383
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide
SMILESCO[C@](C)(CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1F
InChIInChI=1S/C22H26FNO3/c1-21(26-2,18-10-6-7-11-19(18)23)16-24-20(25)22(12-14-27-15-13-22)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyFWMFVLDGFJMACZ-OAQYLSRUSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
CID 1262752
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
(2-Fluorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 4963714
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-3-phenylpropanamide
CID 10765459

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide (CID 97428383) is N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide is CO[C@](C)(CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1F.
What is the InChIKey of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide?
The InChIKey is FWMFVLDGFJMACZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-21(26-2,18-10-6-7-11-19(18)23)16-24-20(25)22(12-14-27-15-13-22)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide?
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 97428383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).