N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide

C16H24ClNO — CID 114149603

IUPACN-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C16H24ClNO/c1-12-7-5-8-13(2)14(12)15(19)18-11-16(3,4)9-6-10-17/h5,7-8H,6,9-11H2,1-4H3,(H,18,19)
InChIKeyOMTHERUQDUDOQT-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.08
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide

N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide (PubChem CID 114149603) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
PubChem CID114149603
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C16H24ClNO/c1-12-7-5-8-13(2)14(12)15(19)18-11-16(3,4)9-6-10-17/h5,7-8H,6,9-11H2,1-4H3,(H,18,19)
InChIKeyOMTHERUQDUDOQT-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573
N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364
2-bromo-N-(5-chloro-2,2-dimethylpentyl)-5-methylbenzamide
CID 106144084
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
CID 106144164
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide (CID 114149603) is N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCC(C)(C)CCCCl.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide?
The InChIKey is OMTHERUQDUDOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12-7-5-8-13(2)14(12)15(19)18-11-16(3,4)9-6-10-17/h5,7-8H,6,9-11H2,1-4H3,(H,18,19).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide?
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide has a molecular weight of 281.83 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 114149603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).