3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide

C18H19ClFNO3 — CID 51947174

IUPAC3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C18H19ClFNO3/c1-12(13-3-8-17(23-2)16(20)11-13)21-18(22)9-10-24-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeySTRKDHXQTLNCTQ-LBPRGKRZSA-N
MW351.81 g/mol
LogP4.13
Rot. Bonds7

About 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide

3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide (PubChem CID 51947174) has the molecular formula C18H19ClFNO3 and a molecular weight of 351.81 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
PubChem CID51947174
Molecular FormulaC18H19ClFNO3
Molecular Weight351.81 g/mol
Exact Mass351.10
IUPAC Name3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C18H19ClFNO3/c1-12(13-3-8-17(23-2)16(20)11-13)21-18(22)9-10-24-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeySTRKDHXQTLNCTQ-LBPRGKRZSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
CID 9051513
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132652702
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46674104
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide (CID 51947174) is 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide is COc1ccc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide?
The InChIKey is STRKDHXQTLNCTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClFNO3/c1-12(13-3-8-17(23-2)16(20)11-13)21-18(22)9-10-24-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide?
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide has a molecular weight of 351.81 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 51947174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).