2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide

C21H16Cl3NO2 — CID 23019865

IUPAC2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide
SMILESO=C(NCc1c(Cl)cccc1OCc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H16Cl3NO2/c22-17-9-5-11-19(27-13-14-6-2-1-3-7-14)16(17)12-25-21(26)15-8-4-10-18(23)20(15)24/h1-11H,12-13H2,(H,25,26)
InChIKeyNPKZOXMLWWPXQA-UHFFFAOYSA-N
MW420.72 g/mol
LogP6.16
Rot. Bonds6

About 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide

2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 23019865) has the molecular formula C21H16Cl3NO2 and a molecular weight of 420.72 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide
PubChem CID23019865
Molecular FormulaC21H16Cl3NO2
Molecular Weight420.72 g/mol
Exact Mass419.02
IUPAC Name2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide
SMILESO=C(NCc1c(Cl)cccc1OCc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H16Cl3NO2/c22-17-9-5-11-19(27-13-14-6-2-1-3-7-14)16(17)12-25-21(26)15-8-4-10-18(23)20(15)24/h1-11H,12-13H2,(H,25,26)
InChIKeyNPKZOXMLWWPXQA-UHFFFAOYSA-N
XLogP6.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.72
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide
CID 23019842
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide
CID 23019985
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748427
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178
N-[(3-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methoxy]benzamide
CID 32636544
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide
CID 4937960

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide (CID 23019865) is 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide is O=C(NCc1c(Cl)cccc1OCc1ccccc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is NPKZOXMLWWPXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3NO2/c22-17-9-5-11-19(27-13-14-6-2-1-3-7-14)16(17)12-25-21(26)15-8-4-10-18(23)20(15)24/h1-11H,12-13H2,(H,25,26).
What are the key properties of 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide?
2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 420.72 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 23019865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).