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

C18H20FNO4 — CID 100611701

IUPAC3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H20FNO4/c1-12(11-24-15-7-5-14(22-2)6-8-15)20-18(21)13-4-9-17(23-3)16(19)10-13/h4-10,12H,11H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyNSPAJUPFWOQGGR-GFCCVEGCSA-N
MW333.36 g/mol
LogP3.04
Rot. Bonds7

About 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide

3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide (PubChem CID 100611701) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
PubChem CID100611701
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H20FNO4/c1-12(11-24-15-7-5-14(22-2)6-8-15)20-18(21)13-4-9-17(23-3)16(19)10-13/h4-10,12H,11H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyNSPAJUPFWOQGGR-GFCCVEGCSA-N
XLogP3.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide
CID 133161789
N-(4-bromobutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 83179034
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
3-iodo-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100513830
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide (CID 100611701) is 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide is COc1ccc(OC[C@@H](C)NC(=O)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
The InChIKey is NSPAJUPFWOQGGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-12(11-24-15-7-5-14(22-2)6-8-15)20-18(21)13-4-9-17(23-3)16(19)10-13/h4-10,12H,11H2,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide?
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide has a molecular weight of 333.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 100611701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).