N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline

C25H24ClF3N2O2 — CID 10184094

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(N(Cc2cccnc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC1CCCC1
InChIInChI=1S/C25H24ClF3N2O2/c1-32-23-11-9-19(14-24(23)33-20-6-2-3-7-20)31(16-17-5-4-12-30-15-17)18-8-10-22(26)21(13-18)25(27,28)29/h4-5,8-15,20H,2-3,6-7,16H2,1H3
InChIKeyOPDNGCRUUOQYNE-UHFFFAOYSA-N
MW476.93 g/mol
LogP7.42
Rot. Bonds7

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline (PubChem CID 10184094) has the molecular formula C25H24ClF3N2O2 and a molecular weight of 476.93 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
PubChem CID10184094
Molecular FormulaC25H24ClF3N2O2
Molecular Weight476.93 g/mol
Exact Mass476.15
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(N(Cc2cccnc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC1CCCC1
InChIInChI=1S/C25H24ClF3N2O2/c1-32-23-11-9-19(14-24(23)33-20-6-2-3-7-20)31(16-17-5-4-12-30-15-17)18-8-10-22(26)21(13-18)25(27,28)29/h4-5,8-15,20H,2-3,6-7,16H2,1H3
InChIKeyOPDNGCRUUOQYNE-UHFFFAOYSA-N
XLogP7.42
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.93
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline (CID 10184094) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline is COc1ccc(N(Cc2cccnc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC1CCCC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is OPDNGCRUUOQYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N2O2/c1-32-23-11-9-19(14-24(23)33-20-6-2-3-7-20)31(16-17-5-4-12-30-15-17)18-8-10-22(26)21(13-18)25(27,28)29/h4-5,8-15,20H,2-3,6-7,16H2,1H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 476.93 g/mol, XLogP of 7.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 10184094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).