3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide

C26H22ClNO3 — CID 4539305

IUPAC3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1
InChIInChI=1S/C26H22ClNO3/c1-17-10-12-18(13-11-17)16-31-25-22(27)14-20(15-24(25)30-2)26(29)28-23-9-5-7-19-6-3-4-8-21(19)23/h3-15H,16H2,1-2H3,(H,28,29)
InChIKeySNVKGEQXCYZLQQ-UHFFFAOYSA-N
MW431.92 g/mol
LogP6.64
Rot. Bonds6

About 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide

3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide (PubChem CID 4539305) has the molecular formula C26H22ClNO3 and a molecular weight of 431.92 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
PubChem CID4539305
Molecular FormulaC26H22ClNO3
Molecular Weight431.92 g/mol
Exact Mass431.13
IUPAC Name3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1
InChIInChI=1S/C26H22ClNO3/c1-17-10-12-18(13-11-17)16-31-25-22(27)14-20(15-24(25)30-2)26(29)28-23-9-5-7-19-6-3-4-8-21(19)23/h3-15H,16H2,1-2H3,(H,28,29)
InChIKeySNVKGEQXCYZLQQ-UHFFFAOYSA-N
XLogP6.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
3-chloro-N-(3,4-dichlorophenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 3447717
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
N-(2-fluoro-5-methylphenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9455251
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253813
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide?
The IUPAC name of 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide (CID 4539305) is 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide is COc1cc(C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1.
What is the InChIKey of 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide?
The InChIKey is SNVKGEQXCYZLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO3/c1-17-10-12-18(13-11-17)16-31-25-22(27)14-20(15-24(25)30-2)26(29)28-23-9-5-7-19-6-3-4-8-21(19)23/h3-15H,16H2,1-2H3,(H,28,29).
What are the key properties of 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide?
3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide has a molecular weight of 431.92 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 4539305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).