N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline

C24H24ClFN2O2 — CID 10137314

IUPACN-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(N(Cc2cccnc2)c2ccc(Cl)c(F)c2)cc1OC1CCCC1
InChIInChI=1S/C24H24ClFN2O2/c1-29-23-11-9-19(14-24(23)30-20-6-2-3-7-20)28(16-17-5-4-12-27-15-17)18-8-10-21(25)22(26)13-18/h4-5,8-15,20H,2-3,6-7,16H2,1H3
InChIKeyZHQXZEJKWXGFCJ-UHFFFAOYSA-N
MW426.92 g/mol
LogP6.54
Rot. Bonds7

About N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline

N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline (PubChem CID 10137314) has the molecular formula C24H24ClFN2O2 and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
PubChem CID10137314
Molecular FormulaC24H24ClFN2O2
Molecular Weight426.92 g/mol
Exact Mass426.15
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(N(Cc2cccnc2)c2ccc(Cl)c(F)c2)cc1OC1CCCC1
InChIInChI=1S/C24H24ClFN2O2/c1-29-23-11-9-19(14-24(23)30-20-6-2-3-7-20)28(16-17-5-4-12-27-15-17)18-8-10-21(25)22(26)13-18/h4-5,8-15,20H,2-3,6-7,16H2,1H3
InChIKeyZHQXZEJKWXGFCJ-UHFFFAOYSA-N
XLogP6.54
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.92
LogP ≤ 56.54
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-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline (CID 10137314) is N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline is COc1ccc(N(Cc2cccnc2)c2ccc(Cl)c(F)c2)cc1OC1CCCC1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is ZHQXZEJKWXGFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O2/c1-29-23-11-9-19(14-24(23)30-20-6-2-3-7-20)28(16-17-5-4-12-27-15-17)18-8-10-21(25)22(26)13-18/h4-5,8-15,20H,2-3,6-7,16H2,1H3.
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline?
N-(4-chloro-3-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 426.92 g/mol, XLogP of 6.54, 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-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 10137314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).