N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide

C14H20ClNO2 — CID 114171364

IUPACN-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCCCOCCCl
InChIInChI=1S/C14H20ClNO2/c1-11-5-3-6-12(2)13(11)14(17)16-8-4-9-18-10-7-15/h3,5-6H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyDFPMDRPNZAWKCJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.68
Rot. Bonds7

About N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide

N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide (PubChem CID 114171364) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
PubChem CID114171364
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCCCOCCCl
InChIInChI=1S/C14H20ClNO2/c1-11-5-3-6-12(2)13(11)14(17)16-8-4-9-18-10-7-15/h3,5-6H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyDFPMDRPNZAWKCJ-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dihydroxybenzamide
CID 106307093
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-methylbenzamide
CID 114171292
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
CID 106307036
N-[3-(2-chloroethoxy)propyl]-3-nitrobenzamide
CID 114171390
N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide
CID 106306849
2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373
N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106306919
2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
CID 103852955
N-(4-aminopentyl)-2,6-dimethylbenzamide
CID 106122701

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide (CID 114171364) is N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCCCOCCCl.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide?
The InChIKey is DFPMDRPNZAWKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11-5-3-6-12(2)13(11)14(17)16-8-4-9-18-10-7-15/h3,5-6H,4,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide?
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 114171364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).