N-(6-chlorohexyl)-2,6-dimethylbenzamide

C15H22ClNO — CID 114026632

IUPACN-(6-chlorohexyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCCCCCCCl
InChIInChI=1S/C15H22ClNO/c1-12-8-7-9-13(2)14(12)15(18)17-11-6-4-3-5-10-16/h7-9H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyWBKZQNLKISOELY-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.83
Rot. Bonds7

About N-(6-chlorohexyl)-2,6-dimethylbenzamide

N-(6-chlorohexyl)-2,6-dimethylbenzamide (PubChem CID 114026632) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(6-chlorohexyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-2,6-dimethylbenzamide
PubChem CID114026632
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(6-chlorohexyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCCCCCCCl
InChIInChI=1S/C15H22ClNO/c1-12-8-7-9-13(2)14(12)15(18)17-11-6-4-3-5-10-16/h7-9H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyWBKZQNLKISOELY-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373
N-(4-aminopentyl)-2,6-dimethylbenzamide
CID 106122701
2,6-dichloro-N-(3-chloropropyl)benzamide
CID 3367173
3-chloro-N-(5-chloropentyl)-4-methylbenzamide
CID 107321227
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
2-(6-hydroxyhexylcarbamoyl)-3,6-dimethylbenzoic acid
CID 107846487
N-hexadecyl-2-methyl-6-nitrobenzamide
CID 173399090

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(6-chlorohexyl)-2,6-dimethylbenzamide (CID 114026632) is N-(6-chlorohexyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(6-chlorohexyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(6-chlorohexyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCCCCCCCl.
What is the InChIKey of N-(6-chlorohexyl)-2,6-dimethylbenzamide?
The InChIKey is WBKZQNLKISOELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-8-7-9-13(2)14(12)15(18)17-11-6-4-3-5-10-16/h7-9H,3-6,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-(6-chlorohexyl)-2,6-dimethylbenzamide?
N-(6-chlorohexyl)-2,6-dimethylbenzamide has a molecular weight of 267.80 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 114026632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).