3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide

C13H16Cl3NO — CID 55185882

IUPAC3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl3NO/c1-9(2)17(7-3-6-14)13(18)10-4-5-11(15)12(16)8-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyDYSXJVAJVQZCPW-UHFFFAOYSA-N
MW308.64 g/mol
LogP4.47
Rot. Bonds5

About 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide

3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide (PubChem CID 55185882) has the molecular formula C13H16Cl3NO and a molecular weight of 308.64 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
PubChem CID55185882
Molecular FormulaC13H16Cl3NO
Molecular Weight308.64 g/mol
Exact Mass307.03
IUPAC Name3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl3NO/c1-9(2)17(7-3-6-14)13(18)10-4-5-11(15)12(16)8-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyDYSXJVAJVQZCPW-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 54.47
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-bromo-4-chloro-N-(2-chloroethyl)-N-propan-2-ylbenzamide
CID 107993605
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 63390980
N-(3-chloropropyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
CID 63390738
N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 63390814
N-(3-chloropropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 63390608
N-(2-bromoethyl)-3-chloro-4-fluoro-N-propan-2-ylbenzamide
CID 82879335
5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746429
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746433
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
N-(3-bromopropyl)-3-chloro-N-propan-2-ylbenzamide
CID 80662095

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide (CID 55185882) is 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide is CC(C)N(CCCCl)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide?
The InChIKey is DYSXJVAJVQZCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO/c1-9(2)17(7-3-6-14)13(18)10-4-5-11(15)12(16)8-10/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide?
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide has a molecular weight of 308.64 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 55185882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).