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

C17H17ClFNO3 — CID 100540757

IUPAC4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H17ClFNO3/c1-11(10-23-14-6-4-13(22-2)5-7-14)20-17(21)15-8-3-12(18)9-16(15)19/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyIZYXHFMTDBHSOA-LLVKDONJSA-N
MW337.78 g/mol
LogP3.68
Rot. Bonds6

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

4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide (PubChem CID 100540757) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
PubChem CID100540757
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H17ClFNO3/c1-11(10-23-14-6-4-13(22-2)5-7-14)20-17(21)15-8-3-12(18)9-16(15)19/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyIZYXHFMTDBHSOA-LLVKDONJSA-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-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
CID 133160972
4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 95161875
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
CID 83187469
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 93487152
3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 100605076
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide (CID 100540757) is 4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide is COc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The InChIKey is IZYXHFMTDBHSOA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-11(10-23-14-6-4-13(22-2)5-7-14)20-17(21)15-8-3-12(18)9-16(15)19/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
4-chloro-2-fluoro-N-[(2R)-1-(4-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-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 100540757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).