4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide

C18H19Cl2NO3 — CID 40793146

IUPAC4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
SMILESC[C@@H](O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2NO3/c1-12(22)13-4-2-5-15(10-13)21-18(23)6-3-9-24-17-8-7-14(19)11-16(17)20/h2,4-5,7-8,10-12,22H,3,6,9H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyRBQIZYFKIYXCMT-GFCCVEGCSA-N
MW368.26 g/mol
LogP4.84
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide

4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide (PubChem CID 40793146) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
PubChem CID40793146
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
SMILESC[C@@H](O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2NO3/c1-12(22)13-4-2-5-15(10-13)21-18(23)6-3-9-24-17-8-7-14(19)11-16(17)20/h2,4-5,7-8,10-12,22H,3,6,9H2,1H3,(H,21,23)/t12-/m1/s1
InChIKeyRBQIZYFKIYXCMT-GFCCVEGCSA-N
XLogP4.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.84
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
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl] acetate
CID 17341804
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3-chlorophenyl)butanamide
CID 19206243
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161184
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-N-(1-phenylethyl)benzamide
CID 43877987
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
CID 3711585
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide (CID 40793146) is 4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide is C[C@@H](O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide?
The InChIKey is RBQIZYFKIYXCMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-12(22)13-4-2-5-15(10-13)21-18(23)6-3-9-24-17-8-7-14(19)11-16(17)20/h2,4-5,7-8,10-12,22H,3,6,9H2,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide has a molecular weight of 368.26 g/mol, XLogP of 4.84, 7 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-[(1R)-1-hydroxyethyl]phenyl]butanamide is sourced from PubChem (CID 40793146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).