3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

C20H24FNO3 — CID 100613058

IUPAC3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H24FNO3/c1-13(2)11-18(14-5-8-16(24-3)9-6-14)22-20(23)15-7-10-19(25-4)17(21)12-15/h5-10,12-13,18H,11H2,1-4H3,(H,22,23)/t18-/m1/s1
InChIKeyGXKQEYZAJUULEB-GOSISDBHSA-N
MW345.41 g/mol
LogP4.36
Rot. Bonds7

About 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (PubChem CID 100613058) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
PubChem CID100613058
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H24FNO3/c1-13(2)11-18(14-5-8-16(24-3)9-6-14)22-20(23)15-7-10-19(25-4)17(21)12-15/h5-10,12-13,18H,11H2,1-4H3,(H,22,23)/t18-/m1/s1
InChIKeyGXKQEYZAJUULEB-GOSISDBHSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
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-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 114300958
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 26974136

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (CID 100613058) is 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The InChIKey is GXKQEYZAJUULEB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-13(2)11-18(14-5-8-16(24-3)9-6-14)22-20(23)15-7-10-19(25-4)17(21)12-15/h5-10,12-13,18H,11H2,1-4H3,(H,22,23)/t18-/m1/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide has a molecular weight of 345.41 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is sourced from PubChem (CID 100613058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).