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

C11H11BrF3NO — CID 64590919

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-2-3-10(17)16-9-5-4-7(12)6-8(9)11(13,14)15/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyPRNWMOZBLQUZKE-UHFFFAOYSA-N
MW310.11 g/mol
LogP4.21
Rot. Bonds3

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

N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide (PubChem CID 64590919) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
PubChem CID64590919
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-2-3-10(17)16-9-5-4-7(12)6-8(9)11(13,14)15/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyPRNWMOZBLQUZKE-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 107904014
5-bromo-2-(butanoylamino)benzamide
CID 12989236
2-[4-bromo-2-(trifluoromethyl)anilino]pentanoic acid
CID 65484577
ethyl 3-[4-bromo-2-(trifluoromethyl)anilino]propanoate
CID 60792217

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide (CID 64590919) is N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide is CCCC(=O)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is PRNWMOZBLQUZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-2-3-10(17)16-9-5-4-7(12)6-8(9)11(13,14)15/h4-6H,2-3H2,1H3,(H,16,17).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 310.11 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 64590919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).