3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide

C15H21Cl2NO — CID 81325136

IUPAC3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCCl)C(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H21Cl2NO/c1-4-14(5-2)18(7-6-16)15(19)12-8-11(3)9-13(17)10-12/h8-10,14H,4-7H2,1-3H3
InChIKeyDYKZZPOSVKBVNX-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.52
Rot. Bonds6

About 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide

3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide (PubChem CID 81325136) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide
PubChem CID81325136
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCCl)C(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H21Cl2NO/c1-4-14(5-2)18(7-6-16)15(19)12-8-11(3)9-13(17)10-12/h8-10,14H,4-7H2,1-3H3
InChIKeyDYKZZPOSVKBVNX-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-chloroethyl)-N-ethyl-5-methylbenzamide
CID 81324424
3-chloro-N-(2-chloroethyl)-N,5-dimethylbenzamide
CID 81324251
3-chloro-N-(2-chloroethyl)-5-methyl-N-propylbenzamide
CID 81324581
3-bromo-N-(2-chloroethyl)-5-fluoro-N-pentan-3-ylbenzamide
CID 55188004
2,5-dichloro-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 63395991
N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
CID 79690111
N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide
CID 63395731
3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
CID 81324250
3-chloro-N-(2-cyanoethyl)-5-methyl-N-propan-2-ylbenzamide
CID 81005610
N-(2-chloroethyl)-N-pentan-3-yl-3-propan-2-yloxybenzamide
CID 63398302
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335
3-bromo-N-(2-chloroethyl)-4-methoxy-N-pentan-3-ylbenzamide
CID 63398339

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide (CID 81325136) is 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide is CCC(CC)N(CCCl)C(=O)c1cc(C)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide?
The InChIKey is DYKZZPOSVKBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-14(5-2)18(7-6-16)15(19)12-8-11(3)9-13(17)10-12/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide?
3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide has a molecular weight of 302.25 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 81325136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).