N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide

C14H19Cl2NO — CID 114306400

IUPACN-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
SMILESCCC(CCCl)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-2-11(7-8-15)10-17-14(18)9-12-5-3-4-6-13(12)16/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyBTJASWBTKGOSJY-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.65
Rot. Bonds7

About N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide

N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide (PubChem CID 114306400) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
PubChem CID114306400
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
SMILESCCC(CCCl)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-2-11(7-8-15)10-17-14(18)9-12-5-3-4-6-13(12)16/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyBTJASWBTKGOSJY-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.65
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-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide
CID 114145672
N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
CID 114308630
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
CID 114306423
2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113258913
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
3-[[2-(2-chlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261274
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 114306557
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide (CID 114306400) is N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide is CCC(CCCl)CNC(=O)Cc1ccccc1Cl.
What is the InChIKey of N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide?
The InChIKey is BTJASWBTKGOSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-2-11(7-8-15)10-17-14(18)9-12-5-3-4-6-13(12)16/h3-6,11H,2,7-10H2,1H3,(H,17,18).
What are the key properties of N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide?
N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide has a molecular weight of 288.22 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 114306400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).