2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide

C29H32Cl2N2O4 — CID 42704417

IUPAC2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(CN(CCCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C29H32Cl2N2O4/c1-35-28-18-23(8-11-27(28)37-21-22-6-3-2-4-7-22)20-33(13-5-12-32-14-16-36-17-15-32)29(34)25-10-9-24(30)19-26(25)31/h2-4,6-11,18-19H,5,12-17,20-21H2,1H3
InChIKeyQXQVHOYUHLSOPH-UHFFFAOYSA-N
MW543.49 g/mol
LogP5.95
Rot. Bonds11

About 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide

2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 42704417) has the molecular formula C29H32Cl2N2O4 and a molecular weight of 543.49 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID42704417
Molecular FormulaC29H32Cl2N2O4
Molecular Weight543.49 g/mol
Exact Mass542.17
IUPAC Name2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(CN(CCCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C29H32Cl2N2O4/c1-35-28-18-23(8-11-27(28)37-21-22-6-3-2-4-7-22)20-33(13-5-12-32-14-16-36-17-15-32)29(34)25-10-9-24(30)19-26(25)31/h2-4,6-11,18-19H,5,12-17,20-21H2,1H3
InChIKeyQXQVHOYUHLSOPH-UHFFFAOYSA-N
XLogP5.95
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434
2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42657272
2-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698238
ethyl 4-[[(3-methoxy-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 42708428
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42705023
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 5048178
2-[2-[(4-chlorophenyl)methyl-(3-morpholin-4-ylpropyl)amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 155987996
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 42704417) is 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide is COc1cc(CN(CCCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1.
What is the InChIKey of 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is QXQVHOYUHLSOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N2O4/c1-35-28-18-23(8-11-27(28)37-21-22-6-3-2-4-7-22)20-33(13-5-12-32-14-16-36-17-15-32)29(34)25-10-9-24(30)19-26(25)31/h2-4,6-11,18-19H,5,12-17,20-21H2,1H3.
What are the key properties of 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide?
2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 543.49 g/mol, XLogP of 5.95, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 42704417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).