N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide

C13H18ClNO3 — CID 79204145

IUPACN-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CCC(C)O
InChIInChI=1S/C13H18ClNO3/c1-3-18-12-6-5-10(14)8-11(12)15-13(17)7-4-9(2)16/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyHDXJVSKQWGBZHT-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.84
Rot. Bonds6

About N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide

N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide (PubChem CID 79204145) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
PubChem CID79204145
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CCC(C)O
InChIInChI=1S/C13H18ClNO3/c1-3-18-12-6-5-10(14)8-11(12)15-13(17)7-4-9(2)16/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyHDXJVSKQWGBZHT-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927791
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
N-(5-chloro-2-ethoxyphenyl)-3-(cyclopropylamino)propanamide
CID 54862719
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938
N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488552
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide (CID 79204145) is N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide is CCOc1ccc(Cl)cc1NC(=O)CCC(C)O.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide?
The InChIKey is HDXJVSKQWGBZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-18-12-6-5-10(14)8-11(12)15-13(17)7-4-9(2)16/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide?
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide has a molecular weight of 271.74 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide is sourced from PubChem (CID 79204145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).