4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide

C13H17Cl2NO2 — CID 113492957

IUPAC4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCC(Cl)C(C)C
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)11(15)7-16-13(17)10-5-4-9(14)6-12(10)18-3/h4-6,8,11H,7H2,1-3H3,(H,16,17)
InChIKeyNWHKSKDOCDEPFL-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.34
Rot. Bonds5

About 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide

4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide (PubChem CID 113492957) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
PubChem CID113492957
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCC(Cl)C(C)C
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)11(15)7-16-13(17)10-5-4-9(14)6-12(10)18-3/h4-6,8,11H,7H2,1-3H3,(H,16,17)
InChIKeyNWHKSKDOCDEPFL-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
CID 63298974
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722901
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
2-chloro-N-(2-chloro-3-methylbutyl)-4-methylbenzamide
CID 106864028
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 113236443
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide (CID 113492957) is 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NCC(Cl)C(C)C.
What is the InChIKey of 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide?
The InChIKey is NWHKSKDOCDEPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-8(2)11(15)7-16-13(17)10-5-4-9(14)6-12(10)18-3/h4-6,8,11H,7H2,1-3H3,(H,16,17).
What are the key properties of 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide?
4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide has a molecular weight of 290.19 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide is sourced from PubChem (CID 113492957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).