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

C29H26ClNO3 — CID 42701860

IUPACN-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)cc1OCc1ccccc1
InChIInChI=1S/C29H26ClNO3/c1-33-27-17-16-24(18-28(27)34-21-23-12-6-3-7-13-23)20-31(19-22-10-4-2-5-11-22)29(32)25-14-8-9-15-26(25)30/h2-18H,19-21H2,1H3
InChIKeyWOYADKKTHZUEPU-UHFFFAOYSA-N
MW471.98 g/mol
LogP6.77
Rot. Bonds9

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

N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 42701860) has the molecular formula C29H26ClNO3 and a molecular weight of 471.98 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
PubChem CID42701860
Molecular FormulaC29H26ClNO3
Molecular Weight471.98 g/mol
Exact Mass471.16
IUPAC NameN-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)cc1OCc1ccccc1
InChIInChI=1S/C29H26ClNO3/c1-33-27-17-16-24(18-28(27)34-21-23-12-6-3-7-13-23)20-31(19-22-10-4-2-5-11-22)29(32)25-14-8-9-15-26(25)30/h2-18H,19-21H2,1H3
InChIKeyWOYADKKTHZUEPU-UHFFFAOYSA-N
XLogP6.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.98
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]benzamide
CID 142238359
[5-[[(2-chlorobenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 4983938
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42704417
N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide
CID 42701836
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42701738
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-phenylmethoxybenzamide
CID 8933781
[4-[[benzyl-(2-chlorobenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3909217
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide (CID 42701860) is N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide is COc1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)cc1OCc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is WOYADKKTHZUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClNO3/c1-33-27-17-16-24(18-28(27)34-21-23-12-6-3-7-13-23)20-31(19-22-10-4-2-5-11-22)29(32)25-14-8-9-15-26(25)30/h2-18H,19-21H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide?
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 471.98 g/mol, XLogP of 6.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 42701860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).