2,4-dichloro-N-(5-chloropentan-2-yl)benzamide

C12H14Cl3NO — CID 114305887

IUPAC2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
SMILESCC(CCCCl)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO/c1-8(3-2-6-13)16-12(17)10-5-4-9(14)7-11(10)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyUEKWFDNKAADTMB-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.13
Rot. Bonds5

About 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide

2,4-dichloro-N-(5-chloropentan-2-yl)benzamide (PubChem CID 114305887) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
PubChem CID114305887
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
SMILESCC(CCCCl)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO/c1-8(3-2-6-13)16-12(17)10-5-4-9(14)7-11(10)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyUEKWFDNKAADTMB-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 54.13
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

2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
CID 83187469
2-chloro-N-(4-chlorobutan-2-yl)-4-methylbenzamide
CID 106863994
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305934
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
CID 106157104
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
3-chloro-N-(5-chloropentan-2-yl)-4-methylbenzamide
CID 114305932
6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 65285765
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide (CID 114305887) is 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide is CC(CCCCl)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide?
The InChIKey is UEKWFDNKAADTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-8(3-2-6-13)16-12(17)10-5-4-9(14)7-11(10)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide?
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide has a molecular weight of 294.61 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-chloropentan-2-yl)benzamide is sourced from PubChem (CID 114305887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).