4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide

C16H15Cl2NO3 — CID 601178

IUPAC4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(O)c1
InChIInChI=1S/C16H15Cl2NO3/c17-11-6-7-15(14(18)9-11)22-8-2-5-16(21)19-12-3-1-4-13(20)10-12/h1,3-4,6-7,9-10,20H,2,5,8H2,(H,19,21)
InChIKeyZKSBETREJAPERR-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.50
Rot. Bonds6

About 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide

4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide (PubChem CID 601178) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
PubChem CID601178
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(O)c1
InChIInChI=1S/C16H15Cl2NO3/c17-11-6-7-15(14(18)9-11)22-8-2-5-16(21)19-12-3-1-4-13(20)10-12/h1,3-4,6-7,9-10,20H,2,5,8H2,(H,19,21)
InChIKeyZKSBETREJAPERR-UHFFFAOYSA-N
XLogP4.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl] acetate
CID 17341804
4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 40793146
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
CID 108880828
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide (CID 601178) is 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(O)c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide?
The InChIKey is ZKSBETREJAPERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c17-11-6-7-15(14(18)9-11)22-8-2-5-16(21)19-12-3-1-4-13(20)10-12/h1,3-4,6-7,9-10,20H,2,5,8H2,(H,19,21).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide has a molecular weight of 340.21 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide is sourced from PubChem (CID 601178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).