2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide

C23H22Cl2N2O2 — CID 54789933

IUPAC2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O2/c1-15(2)29-18-12-10-17(11-13-18)26-22(28)14-16-6-3-4-9-21(16)27-23-19(24)7-5-8-20(23)25/h3-13,15,27H,14H2,1-2H3,(H,26,28)
InChIKeyNITMUYBRBJKESB-UHFFFAOYSA-N
MW429.35 g/mol
LogP6.71
Rot. Bonds7

About 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide

2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 54789933) has the molecular formula C23H22Cl2N2O2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID54789933
Molecular FormulaC23H22Cl2N2O2
Molecular Weight429.35 g/mol
Exact Mass428.11
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O2/c1-15(2)29-18-12-10-17(11-13-18)26-22(28)14-16-6-3-4-9-21(16)27-23-19(24)7-5-8-20(23)25/h3-13,15,27H,14H2,1-2H3,(H,26,28)
InChIKeyNITMUYBRBJKESB-UHFFFAOYSA-N
XLogP6.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[2-(2,6-dichloroanilino)phenyl]acetamide
CID 23764468
2-(2,6-dichloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009437
N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108946631
1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991783
N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide
CID 54790103
2-(2-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7941085
2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide
CID 22824884
2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109008014
2-[2-(2,6-dichloroanilino)phenyl]-N-(2-ethoxyethyl)acetamide
CID 126576343
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
1-[(2-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100606891

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide (CID 54789933) is 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is NITMUYBRBJKESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O2/c1-15(2)29-18-12-10-17(11-13-18)26-22(28)14-16-6-3-4-9-21(16)27-23-19(24)7-5-8-20(23)25/h3-13,15,27H,14H2,1-2H3,(H,26,28).
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide?
2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 429.35 g/mol, XLogP of 6.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 54789933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).