N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide

C14H9BrF3NO2 — CID 61410155

IUPACN-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(NCc1cccc(Br)c1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H9BrF3NO2/c15-8-3-1-2-7(4-8)6-19-14(21)9-5-10(16)12(18)13(20)11(9)17/h1-5,20H,6H2,(H,19,21)
InChIKeyLVGVJGRBKFKQQG-UHFFFAOYSA-N
MW360.13 g/mol
LogP3.50
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide

N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 61410155) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID61410155
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC NameN-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(NCc1cccc(Br)c1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H9BrF3NO2/c15-8-3-1-2-7(4-8)6-19-14(21)9-5-10(16)12(18)13(20)11(9)17/h1-5,20H,6H2,(H,19,21)
InChIKeyLVGVJGRBKFKQQG-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917207
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 60891445
N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105381021
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
3-[[(4-bromo-2-fluorobenzoyl)amino]methyl]benzoic acid
CID 60894951
2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide
CID 86789939
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (CID 61410155) is N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is O=C(NCc1cccc(Br)c1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is LVGVJGRBKFKQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c15-8-3-1-2-7(4-8)6-19-14(21)9-5-10(16)12(18)13(20)11(9)17/h1-5,20H,6H2,(H,19,21).
What are the key properties of N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 360.13 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 61410155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).