N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide

C19H22FNO5 — CID 46655748

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C19H22FNO5/c1-11(12-6-7-15(23-2)14(20)8-12)21-19(22)13-9-16(24-3)18(26-5)17(10-13)25-4/h6-11H,1-5H3,(H,21,22)
InChIKeyADIIVRAHVMRENN-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.35
Rot. Bonds7

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 46655748) has the molecular formula C19H22FNO5 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID46655748
Molecular FormulaC19H22FNO5
Molecular Weight363.39 g/mol
Exact Mass363.15
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C19H22FNO5/c1-11(12-6-7-15(23-2)14(20)8-12)21-19(22)13-9-16(24-3)18(26-5)17(10-13)25-4/h6-11H,1-5H3,(H,21,22)
InChIKeyADIIVRAHVMRENN-UHFFFAOYSA-N
XLogP3.35
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 24532422
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 26001629
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24532069
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide (CID 46655748) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide is COc1ccc(C(C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ADIIVRAHVMRENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5/c1-11(12-6-7-15(23-2)14(20)8-12)21-19(22)13-9-16(24-3)18(26-5)17(10-13)25-4/h6-11H,1-5H3,(H,21,22).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 363.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 46655748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).