3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide

C26H22ClNO3 — CID 5035331

IUPAC3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C26H22ClNO3/c1-30-25-23(27)14-21(15-24(25)31-17-18-8-3-2-4-9-18)26(29)28-16-20-12-7-11-19-10-5-6-13-22(19)20/h2-15H,16-17H2,1H3,(H,28,29)
InChIKeyNPVGUOMHEFAEPK-UHFFFAOYSA-N
MW431.92 g/mol
LogP6.01
Rot. Bonds7

About 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide

3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide (PubChem CID 5035331) has the molecular formula C26H22ClNO3 and a molecular weight of 431.92 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
PubChem CID5035331
Molecular FormulaC26H22ClNO3
Molecular Weight431.92 g/mol
Exact Mass431.13
IUPAC Name3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C26H22ClNO3/c1-30-25-23(27)14-21(15-24(25)31-17-18-8-3-2-4-9-18)26(29)28-16-20-12-7-11-19-10-5-6-13-22(19)20/h2-15H,16-17H2,1H3,(H,28,29)
InChIKeyNPVGUOMHEFAEPK-UHFFFAOYSA-N
XLogP6.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 56.01
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-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 3579637
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003
phenacyl 3-chloro-4-methoxy-5-phenylmethoxybenzoate
CID 5034829
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide (CID 5035331) is 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide is COc1c(Cl)cc(C(=O)NCc2cccc3ccccc23)cc1OCc1ccccc1.
What is the InChIKey of 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide?
The InChIKey is NPVGUOMHEFAEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO3/c1-30-25-23(27)14-21(15-24(25)31-17-18-8-3-2-4-9-18)26(29)28-16-20-12-7-11-19-10-5-6-13-22(19)20/h2-15H,16-17H2,1H3,(H,28,29).
What are the key properties of 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide?
3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide has a molecular weight of 431.92 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 5035331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).