N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

C28H31F3N2O3 — CID 10300618

IUPACN-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1OC
InChIInChI=1S/C28H31F3N2O3/c1-5-33(6-2)17-18-36-25-16-15-24(19-26(25)35-4)32(3)27(34)22-9-7-20(8-10-22)21-11-13-23(14-12-21)28(29,30)31/h7-16,19H,5-6,17-18H2,1-4H3
InChIKeyJAIIZWCZERLWEK-UHFFFAOYSA-N
MW500.56 g/mol
LogP6.38
Rot. Bonds10

About N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 10300618) has the molecular formula C28H31F3N2O3 and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID10300618
Molecular FormulaC28H31F3N2O3
Molecular Weight500.56 g/mol
Exact Mass500.23
IUPAC NameN-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1OC
InChIInChI=1S/C28H31F3N2O3/c1-5-33(6-2)17-18-36-25-16-15-24(19-26(25)35-4)32(3)27(34)22-9-7-20(8-10-22)21-11-13-23(14-12-21)28(29,30)31/h7-16,19H,5-6,17-18H2,1-4H3
InChIKeyJAIIZWCZERLWEK-UHFFFAOYSA-N
XLogP6.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (CID 10300618) is N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is CCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1OC.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JAIIZWCZERLWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N2O3/c1-5-33(6-2)17-18-36-25-16-15-24(19-26(25)35-4)32(3)27(34)22-9-7-20(8-10-22)21-11-13-23(14-12-21)28(29,30)31/h7-16,19H,5-6,17-18H2,1-4H3.
What are the key properties of N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 500.56 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10300618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).