N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide

C15H22ClNO2 — CID 106117621

IUPACN-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
SMILESCCCC(CCCl)CNC(=O)c1cccc(O)c1C
InChIInChI=1S/C15H22ClNO2/c1-3-5-12(8-9-16)10-17-15(19)13-6-4-7-14(18)11(13)2/h4,6-7,12,18H,3,5,8-10H2,1-2H3,(H,17,19)
InChIKeyPFGBYPYCIPQESC-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide

N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide (PubChem CID 106117621) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
PubChem CID106117621
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
SMILESCCCC(CCCl)CNC(=O)c1cccc(O)c1C
InChIInChI=1S/C15H22ClNO2/c1-3-5-12(8-9-16)10-17-15(19)13-6-4-7-14(18)11(13)2/h4,6-7,12,18H,3,5,8-10H2,1-2H3,(H,17,19)
InChIKeyPFGBYPYCIPQESC-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.48
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-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide
CID 82830395
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
N-[2-(2-chloroethyl)pentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 106117461
N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide
CID 114145672
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide
CID 114145694
2-bromo-N-(4-chloro-2-ethylbutyl)-3-methylbenzamide
CID 107983971
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
CID 106116184

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide (CID 106117621) is N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide is CCCC(CCCl)CNC(=O)c1cccc(O)c1C.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is PFGBYPYCIPQESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-5-12(8-9-16)10-17-15(19)13-6-4-7-14(18)11(13)2/h4,6-7,12,18H,3,5,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide?
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.48, 7 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]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 106117621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).