4-chloro-N-(4-chloro-2-ethylbutyl)benzamide

C13H17Cl2NO — CID 114306518

IUPAC4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
SMILESCCC(CCCl)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2NO/c1-2-10(7-8-14)9-16-13(17)11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,16,17)
InChIKeyZRVSXNDLGADMMT-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.72
Rot. Bonds6

About 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide

4-chloro-N-(4-chloro-2-ethylbutyl)benzamide (PubChem CID 114306518) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
PubChem CID114306518
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
SMILESCCC(CCCl)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2NO/c1-2-10(7-8-14)9-16-13(17)11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,16,17)
InChIKeyZRVSXNDLGADMMT-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.72
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

N-(4-chloro-2-ethylbutyl)-4-nitrobenzamide
CID 114306473
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 114306557
N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
CID 107706016
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide
CID 133185556
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
N-(4-bromo-2-ethylbutyl)-3-chloro-4-fluorobenzamide
CID 82878753
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide?
The IUPAC name of 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide (CID 114306518) is 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide is CCC(CCCl)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide?
The InChIKey is ZRVSXNDLGADMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-2-10(7-8-14)9-16-13(17)11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide?
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide has a molecular weight of 274.19 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2-ethylbutyl)benzamide is sourced from PubChem (CID 114306518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).