N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide

C15H22ClNO2 — CID 114145672

IUPACN-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide
SMILESCCCC(CCCl)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C15H22ClNO2/c1-2-5-12(8-9-16)11-17-15(19)10-13-6-3-4-7-14(13)18/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyYHNOJBIDNPZUII-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.10
Rot. Bonds8

About N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide

N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 114145672) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID114145672
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide
SMILESCCCC(CCCl)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C15H22ClNO2/c1-2-5-12(8-9-16)11-17-15(19)10-13-6-3-4-7-14(13)18/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyYHNOJBIDNPZUII-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
CID 114306400
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
CID 114302533
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
N-(2-chloro-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 106287114
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 114168757
methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 103492759
2-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]pentan-1-amine
CID 106117128
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 106355515

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide (CID 114145672) is N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide is CCCC(CCCl)CNC(=O)Cc1ccccc1O.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is YHNOJBIDNPZUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-2-5-12(8-9-16)11-17-15(19)10-13-6-3-4-7-14(13)18/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide?
N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 283.80 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 114145672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).