3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide

C25H20ClNO3 — CID 4275970

IUPAC3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C25H20ClNO3/c1-29-24-21(26)14-19(15-23(24)30-16-17-8-3-2-4-9-17)25(28)27-22-13-7-11-18-10-5-6-12-20(18)22/h2-15H,16H2,1H3,(H,27,28)
InChIKeyPMJBYQPAEVZWPY-UHFFFAOYSA-N
MW417.89 g/mol
LogP6.33
Rot. Bonds6

About 3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide

3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide (PubChem CID 4275970) has the molecular formula C25H20ClNO3 and a molecular weight of 417.89 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
PubChem CID4275970
Molecular FormulaC25H20ClNO3
Molecular Weight417.89 g/mol
Exact Mass417.11
IUPAC Name3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C25H20ClNO3/c1-29-24-21(26)14-19(15-23(24)30-16-17-8-3-2-4-9-17)25(28)27-22-13-7-11-18-10-5-6-12-20(18)22/h2-15H,16H2,1H3,(H,27,28)
InChIKeyPMJBYQPAEVZWPY-UHFFFAOYSA-N
XLogP6.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.89
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
CID 4539305
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 5035331
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 3558686
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 126370837
2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 7375111
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 7362863

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide?
The IUPAC name of 3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide (CID 4275970) is 3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide is COc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1.
What is the InChIKey of 3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide?
The InChIKey is PMJBYQPAEVZWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO3/c1-29-24-21(26)14-19(15-23(24)30-16-17-8-3-2-4-9-17)25(28)27-22-13-7-11-18-10-5-6-12-20(18)22/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of 3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide?
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide has a molecular weight of 417.89 g/mol, XLogP of 6.33, 6 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-yl-5-phenylmethoxybenzamide is sourced from PubChem (CID 4275970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).