4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide

C20H17Cl2NO2 — CID 2177409

IUPAC4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc2ccccc12
InChIInChI=1S/C20H17Cl2NO2/c21-15-10-11-19(17(22)13-15)25-12-4-9-20(24)23-18-8-3-6-14-5-1-2-7-16(14)18/h1-3,5-8,10-11,13H,4,9,12H2,(H,23,24)
InChIKeyBUIRYWHVSALVPQ-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.94
Rot. Bonds6

About 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide

4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide (PubChem CID 2177409) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
PubChem CID2177409
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc2ccccc12
InChIInChI=1S/C20H17Cl2NO2/c21-15-10-11-19(17(22)13-15)25-12-4-9-20(24)23-18-8-3-6-14-5-1-2-7-16(14)18/h1-3,5-8,10-11,13H,4,9,12H2,(H,23,24)
InChIKeyBUIRYWHVSALVPQ-UHFFFAOYSA-N
XLogP5.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
N-tert-butyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzamide
CID 4530961
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
2-(2,5-dichlorophenoxy)-N-naphthalen-1-ylacetamide
CID 19167989
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
4-(2,4-dichlorophenoxy)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256499
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17170185

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide (CID 2177409) is 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc2ccccc12.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide?
The InChIKey is BUIRYWHVSALVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c21-15-10-11-19(17(22)13-15)25-12-4-9-20(24)23-18-8-3-6-14-5-1-2-7-16(14)18/h1-3,5-8,10-11,13H,4,9,12H2,(H,23,24).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide?
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide has a molecular weight of 374.27 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 2177409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).