4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide

C16H13BrF3NO2 — CID 7958724

IUPAC4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide
SMILESO=C(CCCOc1cccc(Br)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H13BrF3NO2/c17-10-3-1-4-11(9-10)23-8-2-5-14(22)21-13-7-6-12(18)15(19)16(13)20/h1,3-4,6-7,9H,2,5,8H2,(H,21,22)
InChIKeyWGSJTADSKLKOLW-UHFFFAOYSA-N
MW388.18 g/mol
LogP4.66
Rot. Bonds6

About 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide

4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide (PubChem CID 7958724) has the molecular formula C16H13BrF3NO2 and a molecular weight of 388.18 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide
PubChem CID7958724
Molecular FormulaC16H13BrF3NO2
Molecular Weight388.18 g/mol
Exact Mass387.01
IUPAC Name4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide
SMILESO=C(CCCOc1cccc(Br)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H13BrF3NO2/c17-10-3-1-4-11(9-10)23-8-2-5-14(22)21-13-7-6-12(18)15(19)16(13)20/h1,3-4,6-7,9H,2,5,8H2,(H,21,22)
InChIKeyWGSJTADSKLKOLW-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
CID 2086539
4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 2709343
methyl 3-[4-(3-bromophenoxy)butanoylamino]-4-chlorobenzoate
CID 31525526
2-(3-chlorophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2633081
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
5-bromo-N-(2,3,4-trifluorophenyl)pentanamide
CID 103601724
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide?
The IUPAC name of 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide (CID 7958724) is 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide is O=C(CCCOc1cccc(Br)c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide?
The InChIKey is WGSJTADSKLKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO2/c17-10-3-1-4-11(9-10)23-8-2-5-14(22)21-13-7-6-12(18)15(19)16(13)20/h1,3-4,6-7,9H,2,5,8H2,(H,21,22).
What are the key properties of 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide?
4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide has a molecular weight of 388.18 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide is sourced from PubChem (CID 7958724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).