4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide

C13H18ClNO3 — CID 110487099

IUPAC4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
SMILESCC(O)CNC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-10(16)9-15-13(17)3-2-8-18-12-6-4-11(14)5-7-12/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyISGYLIGWSCWQIG-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.00
Rot. Bonds7

About 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide

4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide (PubChem CID 110487099) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
PubChem CID110487099
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
SMILESCC(O)CNC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-10(16)9-15-13(17)3-2-8-18-12-6-4-11(14)5-7-12/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyISGYLIGWSCWQIG-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.00
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-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
3-[4-(4-acetylphenoxy)butanoylamino]-2-methylpropanoic acid
CID 119236840
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide (CID 110487099) is 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide is CC(O)CNC(=O)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide?
The InChIKey is ISGYLIGWSCWQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-10(16)9-15-13(17)3-2-8-18-12-6-4-11(14)5-7-12/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide?
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide has a molecular weight of 271.74 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide is sourced from PubChem (CID 110487099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).