2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide

C20H23Cl2NO2 — CID 17150644

IUPAC2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H23Cl2NO2/c1-4-13(3)14-9-6-7-12-18(14)25-17(5-2)20(24)23-16-11-8-10-15(21)19(16)22/h6-13,17H,4-5H2,1-3H3,(H,23,24)
InChIKeyYYPRKTHATCXPKA-UHFFFAOYSA-N
MW380.32 g/mol
LogP6.30
Rot. Bonds7

About 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide

2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide (PubChem CID 17150644) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
PubChem CID17150644
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H23Cl2NO2/c1-4-13(3)14-9-6-7-12-18(14)25-17(5-2)20(24)23-16-11-8-10-15(21)19(16)22/h6-13,17H,4-5H2,1-3H3,(H,23,24)
InChIKeyYYPRKTHATCXPKA-UHFFFAOYSA-N
XLogP6.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173593
(2R)-N-(2,3-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 28633203
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 17150650
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
2-(2-butan-2-ylphenoxy)-N-[4-[4-[2-(2-butan-2-ylphenoxy)butanoylamino]-3-methylphenyl]-2-methylphenyl]butanamide
CID 23013474
2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide (CID 17150644) is 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide?
The InChIKey is YYPRKTHATCXPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-4-13(3)14-9-6-7-12-18(14)25-17(5-2)20(24)23-16-11-8-10-15(21)19(16)22/h6-13,17H,4-5H2,1-3H3,(H,23,24).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide?
2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide has a molecular weight of 380.32 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide is sourced from PubChem (CID 17150644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).