4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide

C18H18F4N2O3 — CID 118772096

IUPAC4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)ccc1OCCN
InChIInChI=1S/C18H18F4N2O3/c1-26-16-8-12(2-3-15(16)27-5-4-23)17(25)24-10-11-6-13(18(20,21)22)9-14(19)7-11/h2-3,6-9H,4-5,10,23H2,1H3,(H,24,25)
InChIKeyGJCFYXWJMCLWCU-UHFFFAOYSA-N
MW386.35 g/mol
LogP3.12
Rot. Bonds7

About 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide

4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide (PubChem CID 118772096) has the molecular formula C18H18F4N2O3 and a molecular weight of 386.35 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
PubChem CID118772096
Molecular FormulaC18H18F4N2O3
Molecular Weight386.35 g/mol
Exact Mass386.13
IUPAC Name4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)ccc1OCCN
InChIInChI=1S/C18H18F4N2O3/c1-26-16-8-12(2-3-15(16)27-5-4-23)17(25)24-10-11-6-13(18(20,21)22)9-14(19)7-11/h2-3,6-9H,4-5,10,23H2,1H3,(H,24,25)
InChIKeyGJCFYXWJMCLWCU-UHFFFAOYSA-N
XLogP3.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyethoxy)-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55734454
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 55931191
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 3312760
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 110496645
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide
CID 118771147
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide (CID 118772096) is 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide is COc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)ccc1OCCN.
What is the InChIKey of 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is GJCFYXWJMCLWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O3/c1-26-16-8-12(2-3-15(16)27-5-4-23)17(25)24-10-11-6-13(18(20,21)22)9-14(19)7-11/h2-3,6-9H,4-5,10,23H2,1H3,(H,24,25).
What are the key properties of 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide?
4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 386.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 118772096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).