N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide

C14H20ClNO2 — CID 107157185

IUPACN-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC(Cl)CC(C)C)c1
InChIInChI=1S/C14H20ClNO2/c1-9(2)6-11(15)8-16-14(18)12-7-10(3)4-5-13(12)17/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyGRWJCVDKDNLICB-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.08
Rot. Bonds5

About N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide

N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide (PubChem CID 107157185) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide
PubChem CID107157185
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC(Cl)CC(C)C)c1
InChIInChI=1S/C14H20ClNO2/c1-9(2)6-11(15)8-16-14(18)12-7-10(3)4-5-13(12)17/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyGRWJCVDKDNLICB-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.08
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-(3-bromo-2-methylpropyl)-2-hydroxy-5-methylbenzamide
CID 114313317
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
N-(2-chloro-4-methylpentyl)-2-methylbenzamide
CID 107157210
N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 107157421
N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 55242936
N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 114315762
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
5-bromo-N-(2-chloro-4-methylpentyl)-2-iodobenzamide
CID 114032738
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
2-chloro-1-(2-hydroxy-5-methylphenyl)-3-methylbutan-1-one
CID 121002762
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-hydroxy-5-methylbenzamide
CID 111451372

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide (CID 107157185) is N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCC(Cl)CC(C)C)c1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide?
The InChIKey is GRWJCVDKDNLICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)6-11(15)8-16-14(18)12-7-10(3)4-5-13(12)17/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18).
What are the key properties of N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide?
N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 107157185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).