N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide

C14H20ClNO3 — CID 79199775

IUPACN-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)CCCCO
InChIInChI=1S/C14H20ClNO3/c1-2-9-19-13-7-6-11(15)10-12(13)16-14(18)5-3-4-8-17/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeySHJKGANSOTVNSP-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.23
Rot. Bonds8

About N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide

N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide (PubChem CID 79199775) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
PubChem CID79199775
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)CCCCO
InChIInChI=1S/C14H20ClNO3/c1-2-9-19-13-7-6-11(15)10-12(13)16-14(18)5-3-4-8-17/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeySHJKGANSOTVNSP-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.23
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

6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide (CID 79199775) is N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide is CCCOc1ccc(Cl)cc1NC(=O)CCCCO.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide?
The InChIKey is SHJKGANSOTVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-2-9-19-13-7-6-11(15)10-12(13)16-14(18)5-3-4-8-17/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide?
N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide has a molecular weight of 285.77 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide is sourced from PubChem (CID 79199775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).