2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide

C20H22Cl2N2O2 — CID 22824884

IUPAC2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(C)C[C@@H](C=O)NC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-13(2)10-15(12-25)23-19(26)11-14-6-3-4-9-18(14)24-20-16(21)7-5-8-17(20)22/h3-9,12-13,15,24H,10-11H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyRZZNXLGCBWKDIY-HNNXBMFYSA-N
MW393.31 g/mol
LogP5.01
Rot. Bonds8

About 2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide

2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide (PubChem CID 22824884) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide
PubChem CID22824884
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(C)C[C@@H](C=O)NC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-13(2)10-15(12-25)23-19(26)11-14-6-3-4-9-18(14)24-20-16(21)7-5-8-17(20)22/h3-9,12-13,15,24H,10-11H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyRZZNXLGCBWKDIY-HNNXBMFYSA-N
XLogP5.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 54789933
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
(2S)-4-amino-2-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]-4-oxobutanoic acid
CID 70351453
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-(2,6-dichloroanilino)phenyl]-N-(2-ethoxyethyl)acetamide
CID 126576343
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
1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 90057801
CID 87829814
CID 87829814
2-[2-(2,6-dichloroanilino)phenyl]acetate;tris(hydroxymethyl)-methylazanium
CID 15917937
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide (CID 22824884) is 2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide is CC(C)C[C@@H](C=O)NC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide?
The InChIKey is RZZNXLGCBWKDIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-13(2)10-15(12-25)23-19(26)11-14-6-3-4-9-18(14)24-20-16(21)7-5-8-17(20)22/h3-9,12-13,15,24H,10-11H2,1-2H3,(H,23,26)/t15-/m0/s1.
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide?
2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide has a molecular weight of 393.31 g/mol, XLogP of 5.01, 8 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-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 22824884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).