3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide

C22H20ClNO4 — CID 1008068

IUPAC3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
SMILESCOc1ccccc1NC(=O)c1cc(Cl)c(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C22H20ClNO4/c1-26-19-11-7-6-10-18(19)24-22(25)16-12-17(23)21(27-2)20(13-16)28-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyWLDWTDFBJFVYSV-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.19
Rot. Bonds7

About 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide

3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide (PubChem CID 1008068) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
PubChem CID1008068
Molecular FormulaC22H20ClNO4
Molecular Weight397.86 g/mol
Exact Mass397.11
IUPAC Name3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
SMILESCOc1ccccc1NC(=O)c1cc(Cl)c(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C22H20ClNO4/c1-26-19-11-7-6-10-18(19)24-22(25)16-12-17(23)21(27-2)20(13-16)28-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyWLDWTDFBJFVYSV-UHFFFAOYSA-N
XLogP5.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.86
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
CID 1223749
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 5035331
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
CID 4539305
N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 126370837
2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 7375111

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide (CID 1008068) is 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide is COc1ccccc1NC(=O)c1cc(Cl)c(OC)c(OCc2ccccc2)c1.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide?
The InChIKey is WLDWTDFBJFVYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-26-19-11-7-6-10-18(19)24-22(25)16-12-17(23)21(27-2)20(13-16)28-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide?
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide has a molecular weight of 397.86 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 1008068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).