N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide

C21H24FNO4 — CID 24532422

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(C(=O)NC(C)c2ccc(OC)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C21H24FNO4/c1-6-7-15-10-16(12-19(26-4)20(15)27-5)21(24)23-13(2)14-8-9-18(25-3)17(22)11-14/h6-13H,1-5H3,(H,23,24)/b7-6+
InChIKeyXFZMFNLLIPFCDH-VOTSOKGWSA-N
MW373.42 g/mol
LogP4.38
Rot. Bonds7

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide (PubChem CID 24532422) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
PubChem CID24532422
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(C(=O)NC(C)c2ccc(OC)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C21H24FNO4/c1-6-7-15-10-16(12-19(26-4)20(15)27-5)21(24)23-13(2)14-8-9-18(25-3)17(22)11-14/h6-13H,1-5H3,(H,23,24)/b7-6+
InChIKeyXFZMFNLLIPFCDH-VOTSOKGWSA-N
XLogP4.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
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-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24532069
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40953695
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968315
(2E,4E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]hexa-2,4-dienamide
CID 47117260

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide (CID 24532422) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide is C/C=C/c1cc(C(=O)NC(C)c2ccc(OC)c(F)c2)cc(OC)c1OC.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide?
The InChIKey is XFZMFNLLIPFCDH-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-6-7-15-10-16(12-19(26-4)20(15)27-5)21(24)23-13(2)14-8-9-18(25-3)17(22)11-14/h6-13H,1-5H3,(H,23,24)/b7-6+.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide has a molecular weight of 373.42 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide is sourced from PubChem (CID 24532422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).