N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide

C18H20FNO2 — CID 2469859

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO2/c1-13-4-3-5-17(12-13)22-11-10-18(21)20-14(2)15-6-8-16(19)9-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyDCMPSLZXOPROSC-AWEZNQCLSA-N
MW301.36 g/mol
LogP3.78
Rot. Bonds6

About N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 2469859) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
PubChem CID2469859
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO2/c1-13-4-3-5-17(12-13)22-11-10-18(21)20-14(2)15-6-8-16(19)9-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyDCMPSLZXOPROSC-AWEZNQCLSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
CID 9051513
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
CID 46469859
N-(1-chloropropan-2-yl)-3-(3-methylphenoxy)propanamide
CID 114299616
(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide
CID 7964944
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide (CID 2469859) is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)N[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is DCMPSLZXOPROSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13-4-3-5-17(12-13)22-11-10-18(21)20-14(2)15-6-8-16(19)9-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 301.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2469859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).