4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide

C15H21Cl2NO — CID 106287678

IUPAC4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C15H21Cl2NO/c1-4-11(5-2)14(17)9-18-15(19)13-7-6-12(16)8-10(13)3/h6-8,11,14H,4-5,9H2,1-3H3,(H,18,19)
InChIKeySCNUCHOQCBFPFW-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.42
Rot. Bonds6

About 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide

4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide (PubChem CID 106287678) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
PubChem CID106287678
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C15H21Cl2NO/c1-4-11(5-2)14(17)9-18-15(19)13-7-6-12(16)8-10(13)3/h6-8,11,14H,4-5,9H2,1-3H3,(H,18,19)
InChIKeySCNUCHOQCBFPFW-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
CID 106287730
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide
CID 106287250
N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide
CID 114168869
2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
CID 106287681
N-(2-chloro-3-ethylpentyl)-5-methyl-2-nitrobenzamide
CID 106287129
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide?
The IUPAC name of 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide (CID 106287678) is 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide is CCC(CC)C(Cl)CNC(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide?
The InChIKey is SCNUCHOQCBFPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-11(5-2)14(17)9-18-15(19)13-7-6-12(16)8-10(13)3/h6-8,11,14H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide?
4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide has a molecular weight of 302.25 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide is sourced from PubChem (CID 106287678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).