5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide

C13H17Cl2NO2 — CID 114306224

IUPAC5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(C)CCCl
InChIInChI=1S/C13H17Cl2NO2/c1-9(5-6-14)8-16-13(17)11-7-10(15)3-4-12(11)18-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyRJZQJERPPCPIMI-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.34
Rot. Bonds6

About 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide

5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide (PubChem CID 114306224) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
PubChem CID114306224
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(C)CCCl
InChIInChI=1S/C13H17Cl2NO2/c1-9(5-6-14)8-16-13(17)11-7-10(15)3-4-12(11)18-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyRJZQJERPPCPIMI-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
N-(4-chloro-2-methylbutyl)-2,4,5-trimethoxybenzamide
CID 114306196
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722628
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830
N-(4-chloro-2-methylbutyl)-2-methoxy-4-nitrobenzamide
CID 104784808
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
4-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 120689709
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide (CID 114306224) is 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC(C)CCCl.
What is the InChIKey of 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide?
The InChIKey is RJZQJERPPCPIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-9(5-6-14)8-16-13(17)11-7-10(15)3-4-12(11)18-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide?
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide has a molecular weight of 290.19 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide is sourced from PubChem (CID 114306224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).