N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide

C15H22ClNO3 — CID 106168512

IUPACN-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide
SMILESCCC(C)(CCCl)NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-5-15(2,8-9-16)17-14(18)12-7-6-11(19-3)10-13(12)20-4/h6-7,10H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyPGJHSWJSDVKSLI-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.23
Rot. Bonds7

About N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide

N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide (PubChem CID 106168512) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide
PubChem CID106168512
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide
SMILESCCC(C)(CCCl)NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-5-15(2,8-9-16)17-14(18)12-7-6-11(19-3)10-13(12)20-4/h6-7,10H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyPGJHSWJSDVKSLI-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106168602
N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 114303621
2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79814147
2-[(2,4-dimethoxybenzoyl)amino]-2-methylpentanoic acid
CID 43618581
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
N-(3-carbamothioylpentan-3-yl)-2,4-dimethoxybenzamide
CID 61120433
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811
N-(3-hydroxy-2-methylbutan-2-yl)-2,4-dimethoxybenzamide
CID 115884461
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
CID 114153212

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide (CID 106168512) is N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide is CCC(C)(CCCl)NC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide?
The InChIKey is PGJHSWJSDVKSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-5-15(2,8-9-16)17-14(18)12-7-6-11(19-3)10-13(12)20-4/h6-7,10H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide?
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide has a molecular weight of 299.80 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 106168512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).