3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide

C13H16Cl3NO — CID 114149347

IUPAC3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCCl)CNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl3NO/c1-13(2,3-4-14)8-17-12(18)9-5-10(15)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyCUWQWTFWGCLNLB-UHFFFAOYSA-N
MW308.64 g/mol
LogP4.38
Rot. Bonds5

About 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide

3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide (PubChem CID 114149347) has the molecular formula C13H16Cl3NO and a molecular weight of 308.64 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
PubChem CID114149347
Molecular FormulaC13H16Cl3NO
Molecular Weight308.64 g/mol
Exact Mass307.03
IUPAC Name3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCCl)CNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl3NO/c1-13(2,3-4-14)8-17-12(18)9-5-10(15)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyCUWQWTFWGCLNLB-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 54.38
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

3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144604
N-(4-chloro-2,2-dimethylbutyl)-3,4-difluorobenzamide
CID 114149366
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
3-bromo-N-(4-chloro-2,2-dimethylbutyl)-5-nitrobenzamide
CID 106142912
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
CID 114148875
2-bromo-N-(4-chloro-2,2-dimethylbutyl)-4-methylbenzamide
CID 114149339
3,5-dichloro-N-propylbenzamide
CID 2767298
3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide
CID 55638196
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619
tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 52778263

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide (CID 114149347) is 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide is CC(C)(CCCl)CNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide?
The InChIKey is CUWQWTFWGCLNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO/c1-13(2,3-4-14)8-17-12(18)9-5-10(15)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide?
3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide has a molecular weight of 308.64 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 114149347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).