3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

C21H26FNO4 — CID 7696716

IUPAC3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESCCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H26FNO4/c1-5-25-18-12-16(13-19(26-6-2)20(18)27-7-3)21(24)23-14(4)15-8-10-17(22)11-9-15/h8-14H,5-7H2,1-4H3,(H,23,24)/t14-/m1/s1
InChIKeyFHWBKNJWUAOJFH-CQSZACIVSA-N
MW375.44 g/mol
LogP4.51
Rot. Bonds9

About 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 7696716) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID7696716
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESCCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H26FNO4/c1-5-25-18-12-16(13-19(26-6-2)20(18)27-7-3)21(24)23-14(4)15-8-10-17(22)11-9-15/h8-14H,5-7H2,1-4H3,(H,23,24)/t14-/m1/s1
InChIKeyFHWBKNJWUAOJFH-CQSZACIVSA-N
XLogP4.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
CID 7944603
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
4-ethoxy-N-[1-(4-fluorophenyl)ethyl]-3-[(2-propan-2-ylphenoxy)methyl]benzamide
CID 133238912
3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (CID 7696716) is 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is CCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is FHWBKNJWUAOJFH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26FNO4/c1-5-25-18-12-16(13-19(26-6-2)20(18)27-7-3)21(24)23-14(4)15-8-10-17(22)11-9-15/h8-14H,5-7H2,1-4H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 375.44 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 7696716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).