4-bromo-N-(3,4,5-trichlorophenyl)butanamide

C10H9BrCl3NO — CID 71446010

IUPAC4-bromo-N-(3,4,5-trichlorophenyl)butanamide
SMILESO=C(CCCBr)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C10H9BrCl3NO/c11-3-1-2-9(16)15-6-4-7(12)10(14)8(13)5-6/h4-5H,1-3H2,(H,15,16)
InChIKeyRMPFJXGCGMKMPJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.76
Rot. Bonds4

About 4-bromo-N-(3,4,5-trichlorophenyl)butanamide

4-bromo-N-(3,4,5-trichlorophenyl)butanamide (PubChem CID 71446010) has the molecular formula C10H9BrCl3NO and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-bromo-N-(3,4,5-trichlorophenyl)butanamide.

Molecular Properties

Compound Name4-bromo-N-(3,4,5-trichlorophenyl)butanamide
PubChem CID71446010
Molecular FormulaC10H9BrCl3NO
Molecular Weight345.45 g/mol
Exact Mass342.89
IUPAC Name4-bromo-N-(3,4,5-trichlorophenyl)butanamide
SMILESO=C(CCCBr)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C10H9BrCl3NO/c11-3-1-2-9(16)15-6-4-7(12)10(14)8(13)5-6/h4-5H,1-3H2,(H,15,16)
InChIKeyRMPFJXGCGMKMPJ-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(3,4,5-trichlorophenyl)acetamide
CID 169302976
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybutanamide
CID 107681679
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
5-bromo-N-(2,4,6-trichlorophenyl)pentanamide
CID 103601704
4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
CID 25169359
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039
5-(4-amino-3,5-dichloroanilino)-5-oxopentanoic acid
CID 881207
5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide
CID 107908992
5-bromo-N-(2-chloro-4-pyridinyl)pentanamide
CID 107910446
5-bromo-N-(2,3-dichlorophenyl)pentanamide
CID 103601714
4-bromo-N-(4-phenylphenyl)butanamide
CID 45379211

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4,5-trichlorophenyl)butanamide?
The IUPAC name of 4-bromo-N-(3,4,5-trichlorophenyl)butanamide (CID 71446010) is 4-bromo-N-(3,4,5-trichlorophenyl)butanamide.
What is the SMILES notation for 4-bromo-N-(3,4,5-trichlorophenyl)butanamide?
The canonical SMILES for 4-bromo-N-(3,4,5-trichlorophenyl)butanamide is O=C(CCCBr)Nc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 4-bromo-N-(3,4,5-trichlorophenyl)butanamide?
The InChIKey is RMPFJXGCGMKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl3NO/c11-3-1-2-9(16)15-6-4-7(12)10(14)8(13)5-6/h4-5H,1-3H2,(H,15,16).
What are the key properties of 4-bromo-N-(3,4,5-trichlorophenyl)butanamide?
4-bromo-N-(3,4,5-trichlorophenyl)butanamide has a molecular weight of 345.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,4,5-trichlorophenyl)butanamide is sourced from PubChem (CID 71446010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).