N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide

C15H22ClNO3 — CID 107205814

IUPACN-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCCCCCl)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-17(10-6-4-5-9-16)15(18)12-7-8-13(19-2)14(11-12)20-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyOGRVIIYTOWUAOF-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.18
Rot. Bonds8

About N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide

N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide (PubChem CID 107205814) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
PubChem CID107205814
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCCCCCl)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-17(10-6-4-5-9-16)15(18)12-7-8-13(19-2)14(11-12)20-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyOGRVIIYTOWUAOF-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107206607
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide
CID 3340367
3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 79601084
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 107205727
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate
CID 80980046

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide (CID 107205814) is N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CCCCCCl)cc1OC.
What is the InChIKey of N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is OGRVIIYTOWUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-17(10-6-4-5-9-16)15(18)12-7-8-13(19-2)14(11-12)20-3/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide?
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 299.80 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 107205814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).