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

C26H22ClNO3 — CID 4675114

IUPAC3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C26H22ClNO3/c1-2-30-25-22(27)15-20(16-24(25)31-17-18-9-4-3-5-10-18)26(29)28-23-14-8-12-19-11-6-7-13-21(19)23/h3-16H,2,17H2,1H3,(H,28,29)
InChIKeyQRLBIGACHHHGAG-UHFFFAOYSA-N
MW431.92 g/mol
LogP6.72
Rot. Bonds7

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

3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide (PubChem CID 4675114) has the molecular formula C26H22ClNO3 and a molecular weight of 431.92 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
PubChem CID4675114
Molecular FormulaC26H22ClNO3
Molecular Weight431.92 g/mol
Exact Mass431.13
IUPAC Name3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C26H22ClNO3/c1-2-30-25-22(27)15-20(16-24(25)31-17-18-9-4-3-5-10-18)26(29)28-23-14-8-12-19-11-6-7-13-21(19)23/h3-16H,2,17H2,1H3,(H,28,29)
InChIKeyQRLBIGACHHHGAG-UHFFFAOYSA-N
XLogP6.72
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 ≤ 56.72
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-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
CID 4539305
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide
CID 5015418
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 5035331
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide (CID 4675114) is 3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1.
What is the InChIKey of 3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide?
The InChIKey is QRLBIGACHHHGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO3/c1-2-30-25-22(27)15-20(16-24(25)31-17-18-9-4-3-5-10-18)26(29)28-23-14-8-12-19-11-6-7-13-21(19)23/h3-16H,2,17H2,1H3,(H,28,29).
What are the key properties of 3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide?
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide has a molecular weight of 431.92 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide is sourced from PubChem (CID 4675114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).