4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide

C17H17ClFNO3 — CID 133160972

IUPAC4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccccc1OCC(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H17ClFNO3/c1-11(10-23-16-6-4-3-5-15(16)22-2)20-17(21)13-8-7-12(18)9-14(13)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyLREYYCIQCYGFNR-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.68
Rot. Bonds6

About 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide

4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide (PubChem CID 133160972) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
PubChem CID133160972
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccccc1OCC(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H17ClFNO3/c1-11(10-23-16-6-4-3-5-15(16)22-2)20-17(21)13-8-7-12(18)9-14(13)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyLREYYCIQCYGFNR-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 95161875
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
3-(4-chlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133220664
4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
CID 83187469
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
1-(3-chloro-4-fluorophenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]thiourea
CID 100751450
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100667509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide (CID 133160972) is 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide is COc1ccccc1OCC(C)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide?
The InChIKey is LREYYCIQCYGFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-11(10-23-16-6-4-3-5-15(16)22-2)20-17(21)13-8-7-12(18)9-14(13)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide?
4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide has a molecular weight of 337.78 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 133160972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).