4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide

C19H20Cl2N2O3 — CID 17188242

IUPAC4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-2-18(24)22-14-5-3-6-15(12-14)23-19(25)7-4-10-26-17-9-8-13(20)11-16(17)21/h3,5-6,8-9,11-12H,2,4,7,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyYYMWLJZLDLXZFL-UHFFFAOYSA-N
MW395.29 g/mol
LogP5.14
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide

4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide (PubChem CID 17188242) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
PubChem CID17188242
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-2-18(24)22-14-5-3-6-15(12-14)23-19(25)7-4-10-26-17-9-8-13(20)11-16(17)21/h3,5-6,8-9,11-12H,2,4,7,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyYYMWLJZLDLXZFL-UHFFFAOYSA-N
XLogP5.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 55.14
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-hydroxyphenyl)butanamide
CID 601178
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 40793146
[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl] acetate
CID 17341804
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161184
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
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-(propanoylamino)phenyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide (CID 17188242) is 4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide?
The InChIKey is YYMWLJZLDLXZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-2-18(24)22-14-5-3-6-15(12-14)23-19(25)7-4-10-26-17-9-8-13(20)11-16(17)21/h3,5-6,8-9,11-12H,2,4,7,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide has a molecular weight of 395.29 g/mol, XLogP of 5.14, 8 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-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 17188242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).