2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide

C22H20Cl2N2O — CID 57216505

IUPAC2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C22H20Cl2N2O/c1-2-16(22(27)25-15-9-4-3-5-10-15)17-11-6-7-14-20(17)26-21-18(23)12-8-13-19(21)24/h3-14,16,26H,2H2,1H3,(H,25,27)
InChIKeySBPXSKMUEALAPA-UHFFFAOYSA-N
MW399.32 g/mol
LogP6.87
Rot. Bonds6

About 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide

2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide (PubChem CID 57216505) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide
PubChem CID57216505
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C22H20Cl2N2O/c1-2-16(22(27)25-15-9-4-3-5-10-15)17-11-6-7-14-20(17)26-21-18(23)12-8-13-19(21)24/h3-14,16,26H,2H2,1H3,(H,25,27)
InChIKeySBPXSKMUEALAPA-UHFFFAOYSA-N
XLogP6.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-[2-(2,6-dichloroanilino)phenyl]butanoate
CID 23672276
(2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide
CID 174469725
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
2-[3-chloro-2-(methylamino)phenyl]butanoic acid
CID 145408218
2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide
CID 53313403
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
N-(4-chlorophenyl)-2-[2-(2,6-dichloroanilino)phenyl]acetamide
CID 23764468
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 54789933
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide (CID 57216505) is 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide is CCC(C(=O)Nc1ccccc1)c1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide?
The InChIKey is SBPXSKMUEALAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c1-2-16(22(27)25-15-9-4-3-5-10-15)17-11-6-7-14-20(17)26-21-18(23)12-8-13-19(21)24/h3-14,16,26H,2H2,1H3,(H,25,27).
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide?
2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide has a molecular weight of 399.32 g/mol, XLogP of 6.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide is sourced from PubChem (CID 57216505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).