3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide

C23H22ClNO4 — CID 3889618

IUPAC3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C23H22ClNO4/c1-3-28-22-20(24)12-17(13-21(22)29-15-16-8-5-4-6-9-16)23(26)25-18-10-7-11-19(14-18)27-2/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyQDEPXNVRHIUTAQ-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.58
Rot. Bonds8

About 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide

3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide (PubChem CID 3889618) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
PubChem CID3889618
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC Name3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C23H22ClNO4/c1-3-28-22-20(24)12-17(13-21(22)29-15-16-8-5-4-6-9-16)23(26)25-18-10-7-11-19(14-18)27-2/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyQDEPXNVRHIUTAQ-UHFFFAOYSA-N
XLogP5.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3901187
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3340832
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 3558686
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide (CID 3889618) is 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OCc1ccccc1.
What is the InChIKey of 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
The InChIKey is QDEPXNVRHIUTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-3-28-22-20(24)12-17(13-21(22)29-15-16-8-5-4-6-9-16)23(26)25-18-10-7-11-19(14-18)27-2/h4-14H,3,15H2,1-2H3,(H,25,26).
What are the key properties of 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide has a molecular weight of 411.89 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 3889618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).