2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide

C19H20Cl3NO2 — CID 17129881

IUPAC2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H20Cl3NO2/c1-4-11(2)13-7-5-6-8-18(13)25-12(3)19(24)23-17-10-15(21)14(20)9-16(17)22/h5-12H,4H2,1-3H3,(H,23,24)
InChIKeyXVORTHJESOECNO-UHFFFAOYSA-N
MW400.73 g/mol
LogP6.57
Rot. Bonds6

About 2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide

2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 17129881) has the molecular formula C19H20Cl3NO2 and a molecular weight of 400.73 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID17129881
Molecular FormulaC19H20Cl3NO2
Molecular Weight400.73 g/mol
Exact Mass399.06
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H20Cl3NO2/c1-4-11(2)13-7-5-6-8-18(13)25-12(3)19(24)23-17-10-15(21)14(20)9-16(17)22/h5-12H,4H2,1-3H3,(H,23,24)
InChIKeyXVORTHJESOECNO-UHFFFAOYSA-N
XLogP6.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.73
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 46769245
N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide
CID 46735872
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
(2S)-2-(4-bromo-2-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 7809679
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
CID 17150644
2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760646
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
CID 7550717
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-chloro-4-phenylphenoxy)propanamide
CID 7550714
(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-chloro-3-nitrophenyl)propanamide
CID 41251835
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide (CID 17129881) is 2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide is CCC(C)c1ccccc1OC(C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is XVORTHJESOECNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3NO2/c1-4-11(2)13-7-5-6-8-18(13)25-12(3)19(24)23-17-10-15(21)14(20)9-16(17)22/h5-12H,4H2,1-3H3,(H,23,24).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 400.73 g/mol, XLogP of 6.57, 6 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-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 17129881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).