2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide

C29H27ClN2O3 — CID 11409165

IUPAC2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C29H27ClN2O3/c1-34-28-19-23(14-15-27(28)35-21-22-9-3-2-4-10-22)20-32(18-16-24-11-7-8-17-31-24)29(33)25-12-5-6-13-26(25)30/h2-15,17,19H,16,18,20-21H2,1H3
InChIKeyQSZBVYXPUYLGSP-UHFFFAOYSA-N
MW487.00 g/mol
LogP6.21
Rot. Bonds10

About 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide

2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 11409165) has the molecular formula C29H27ClN2O3 and a molecular weight of 487.00 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID11409165
Molecular FormulaC29H27ClN2O3
Molecular Weight487.00 g/mol
Exact Mass486.17
IUPAC Name2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C29H27ClN2O3/c1-34-28-19-23(14-15-27(28)35-21-22-9-3-2-4-10-22)20-32(18-16-24-11-7-8-17-31-24)29(33)25-12-5-6-13-26(25)30/h2-15,17,19H,16,18,20-21H2,1H3
InChIKeyQSZBVYXPUYLGSP-UHFFFAOYSA-N
XLogP6.21
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide (CID 11409165) is 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide is COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2Cl)ccc1OCc1ccccc1.
What is the InChIKey of 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is QSZBVYXPUYLGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O3/c1-34-28-19-23(14-15-27(28)35-21-22-9-3-2-4-10-22)20-32(18-16-24-11-7-8-17-31-24)29(33)25-12-5-6-13-26(25)30/h2-15,17,19H,16,18,20-21H2,1H3.
What are the key properties of 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 487.00 g/mol, XLogP of 6.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 11409165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).