4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide

C11H10Cl2F3NO — CID 60723512

IUPAC4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10Cl2F3NO/c12-5-1-2-10(18)17-9-4-3-7(6-8(9)13)11(14,15)16/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyQIZDRTGZDHAIFG-UHFFFAOYSA-N
MW300.11 g/mol
LogP4.32
Rot. Bonds4

About 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide

4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide (PubChem CID 60723512) has the molecular formula C11H10Cl2F3NO and a molecular weight of 300.11 g/mol. Its IUPAC name is 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
PubChem CID60723512
Molecular FormulaC11H10Cl2F3NO
Molecular Weight300.11 g/mol
Exact Mass299.01
IUPAC Name4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10Cl2F3NO/c12-5-1-2-10(18)17-9-4-3-7(6-8(9)13)11(14,15)16/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyQIZDRTGZDHAIFG-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 54.32
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-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 63669317
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
CID 139521347
N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
CID 62838644
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8909162
4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 19191291
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide (CID 60723512) is 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide is O=C(CCCCl)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is QIZDRTGZDHAIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3NO/c12-5-1-2-10(18)17-9-4-3-7(6-8(9)13)11(14,15)16/h3-4,6H,1-2,5H2,(H,17,18).
What are the key properties of 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide?
4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 300.11 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 60723512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).