2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide

C23H20Cl2N2O3 — CID 3877756

IUPAC2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c(Cl)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-14-10-15(2)22(20(25)11-14)30-13-21(28)26-16-6-5-7-17(12-16)27-23(29)18-8-3-4-9-19(18)24/h3-12H,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyYRWUQWSDBPKFKV-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.88
Rot. Bonds6

About 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide

2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 3877756) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID3877756
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c(Cl)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-14-10-15(2)22(20(25)11-14)30-13-21(28)26-16-6-5-7-17(12-16)27-23(29)18-8-3-4-9-19(18)24/h3-12H,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyYRWUQWSDBPKFKV-UHFFFAOYSA-N
XLogP5.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
CID 23796445
2-chloro-N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]benzamide
CID 1332229
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676510
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-chloro-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 35767797
2-(2-amino-4,6-dimethylphenoxy)-N-(3-chlorophenyl)acetamide
CID 62056523
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(2-chloro-4,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 23790866
2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1326900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide (CID 3877756) is 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide is Cc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is YRWUQWSDBPKFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-14-10-15(2)22(20(25)11-14)30-13-21(28)26-16-6-5-7-17(12-16)27-23(29)18-8-3-4-9-19(18)24/h3-12H,13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 443.33 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 3877756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).