N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide

C27H21Cl2NO3 — CID 142203116

IUPACN-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide
SMILESCC(=O)c1cc(OCCc2cccc3ccccc23)ccc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C27H21Cl2NO3/c1-17(31)24-16-21(33-14-13-19-7-4-6-18-5-2-3-8-22(18)19)10-12-26(24)30-27(32)23-11-9-20(28)15-25(23)29/h2-12,15-16H,13-14H2,1H3,(H,30,32)
InChIKeyLYJVXDFZWMYAOQ-UHFFFAOYSA-N
MW478.38 g/mol
LogP7.22
Rot. Bonds7

About N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide

N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide (PubChem CID 142203116) has the molecular formula C27H21Cl2NO3 and a molecular weight of 478.38 g/mol. Its IUPAC name is N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide
PubChem CID142203116
Molecular FormulaC27H21Cl2NO3
Molecular Weight478.38 g/mol
Exact Mass477.09
IUPAC NameN-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide
SMILESCC(=O)c1cc(OCCc2cccc3ccccc23)ccc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C27H21Cl2NO3/c1-17(31)24-16-21(33-14-13-19-7-4-6-18-5-2-3-8-22(18)19)10-12-26(24)30-27(32)23-11-9-20(28)15-25(23)29/h2-12,15-16H,13-14H2,1H3,(H,30,32)
InChIKeyLYJVXDFZWMYAOQ-UHFFFAOYSA-N
XLogP7.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.38
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
CID 10138370
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
CID 173235013
2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide
CID 142203086
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride
CID 173235311
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
CID 159142897
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid;hydride
CID 173234722
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone
CID 91863438

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide (CID 142203116) is N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide is CC(=O)c1cc(OCCc2cccc3ccccc23)ccc1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide?
The InChIKey is LYJVXDFZWMYAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2NO3/c1-17(31)24-16-21(33-14-13-19-7-4-6-18-5-2-3-8-22(18)19)10-12-26(24)30-27(32)23-11-9-20(28)15-25(23)29/h2-12,15-16H,13-14H2,1H3,(H,30,32).
What are the key properties of N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide?
N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide has a molecular weight of 478.38 g/mol, XLogP of 7.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 142203116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).