3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide

C14H18BrCl2NO — CID 106144604

IUPAC3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrCl2NO/c1-14(2,4-3-5-16)9-18-13(19)10-6-11(15)8-12(17)7-10/h6-8H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyMBAMJGZQKGUKND-UHFFFAOYSA-N
MW367.11 g/mol
LogP4.88
Rot. Bonds6

About 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide

3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide (PubChem CID 106144604) has the molecular formula C14H18BrCl2NO and a molecular weight of 367.11 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
PubChem CID106144604
Molecular FormulaC14H18BrCl2NO
Molecular Weight367.11 g/mol
Exact Mass364.99
IUPAC Name3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrCl2NO/c1-14(2,4-3-5-16)9-18-13(19)10-6-11(15)8-12(17)7-10/h6-8H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyMBAMJGZQKGUKND-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 54.88
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

3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
CID 114149347
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-3-bromo-5-chlorobenzamide
CID 107939068
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113349822
3-bromo-N-(4-chloro-2,2-dimethylbutyl)-5-nitrobenzamide
CID 106142912
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
CID 114149605
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
2-bromo-N-(5-chloro-2,2-dimethylpentyl)-5-methylbenzamide
CID 106144084

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide (CID 106144604) is 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide is CC(C)(CCCCl)CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide?
The InChIKey is MBAMJGZQKGUKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2NO/c1-14(2,4-3-5-16)9-18-13(19)10-6-11(15)8-12(17)7-10/h6-8H,3-5,9H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide?
3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide has a molecular weight of 367.11 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 106144604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).