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

C24H23Cl2NO4 — CID 142875477

IUPAC5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)ccc2OCCCl)ccc1OCc1ccccc1
InChIInChI=1S/C24H23Cl2NO4/c1-29-23-13-18(7-9-22(23)31-16-17-5-3-2-4-6-17)15-27-24(28)20-14-19(26)8-10-21(20)30-12-11-25/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,28)
InChIKeyABULWFSUKFZBNM-UHFFFAOYSA-N
MW460.36 g/mol
LogP5.48
Rot. Bonds10

About 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide

5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 142875477) has the molecular formula C24H23Cl2NO4 and a molecular weight of 460.36 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
PubChem CID142875477
Molecular FormulaC24H23Cl2NO4
Molecular Weight460.36 g/mol
Exact Mass459.10
IUPAC Name5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)ccc2OCCCl)ccc1OCc1ccccc1
InChIInChI=1S/C24H23Cl2NO4/c1-29-23-13-18(7-9-22(23)31-16-17-5-3-2-4-6-17)15-27-24(28)20-14-19(26)8-10-21(20)30-12-11-25/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,28)
InChIKeyABULWFSUKFZBNM-UHFFFAOYSA-N
XLogP5.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
2-chloro-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 55381424
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (CID 142875477) is 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cc(Cl)ccc2OCCCl)ccc1OCc1ccccc1.
What is the InChIKey of 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is ABULWFSUKFZBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO4/c1-29-23-13-18(7-9-22(23)31-16-17-5-3-2-4-6-17)15-27-24(28)20-14-19(26)8-10-21(20)30-12-11-25/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,28).
What are the key properties of 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 460.36 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 142875477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).