N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline

C24H23Cl3N2O2 — CID 22747685

IUPACN-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(N(Cc2cc(Cl)nc(Cl)c2)c2ccccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C24H23Cl3N2O2/c1-30-21-11-10-17(14-22(21)31-18-6-2-3-7-18)29(20-9-5-4-8-19(20)25)15-16-12-23(26)28-24(27)13-16/h4-5,8-14,18H,2-3,6-7,15H2,1H3
InChIKeyPRQVUCJEVUNKDV-UHFFFAOYSA-N
MW477.82 g/mol
LogP7.71
Rot. Bonds7

About N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline

N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline (PubChem CID 22747685) has the molecular formula C24H23Cl3N2O2 and a molecular weight of 477.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline
PubChem CID22747685
Molecular FormulaC24H23Cl3N2O2
Molecular Weight477.82 g/mol
Exact Mass476.08
IUPAC NameN-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(N(Cc2cc(Cl)nc(Cl)c2)c2ccccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C24H23Cl3N2O2/c1-30-21-11-10-17(14-22(21)31-18-6-2-3-7-18)29(20-9-5-4-8-19(20)25)15-16-12-23(26)28-24(27)13-16/h4-5,8-14,18H,2-3,6-7,15H2,1H3
InChIKeyPRQVUCJEVUNKDV-UHFFFAOYSA-N
XLogP7.71
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.82
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyloxy-4-methoxy-N-(2-methylphenyl)-N-(pyridin-3-ylmethyl)aniline
CID 18453304
N-(3-chloro-4-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 10224353
N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 22747548
3-cyclopentyloxy-4-methoxy-N-phenyl-N-(pyrazin-2-ylmethyl)aniline
CID 22747608
1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene
CID 21221257
2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline
CID 174932944
4-[3-cyclopentyloxy-N-[(3,5-dichloro-2-pyridinyl)methyl]-4-methoxyanilino]benzoic acid
CID 68952230
3-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(oxan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)aniline
CID 68953150
3-cyclopentyloxy-4-methoxy-N-[4-(oxolan-2-yloxy)phenyl]-N-(pyridin-3-ylmethyl)aniline
CID 22747709
2-[2-chloro-5-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 143068802
3-[N-[(3-aminophenyl)methyl]-3-cyclopentyloxy-4-methoxyanilino]benzoic acid
CID 70235750
[[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,6-dichloro-4-pyridinyl)ethylidene]amino] carbamate
CID 173256484

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline?
The IUPAC name of N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline (CID 22747685) is N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline?
The canonical SMILES for N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline is COc1ccc(N(Cc2cc(Cl)nc(Cl)c2)c2ccccc2Cl)cc1OC1CCCC1.
What is the InChIKey of N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline?
The InChIKey is PRQVUCJEVUNKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N2O2/c1-30-21-11-10-17(14-22(21)31-18-6-2-3-7-18)29(20-9-5-4-8-19(20)25)15-16-12-23(26)28-24(27)13-16/h4-5,8-14,18H,2-3,6-7,15H2,1H3.
What are the key properties of N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline?
N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline has a molecular weight of 477.82 g/mol, XLogP of 7.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-cyclopentyloxy-N-[(2,6-dichloro-4-pyridinyl)methyl]-4-methoxyaniline is sourced from PubChem (CID 22747685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).