N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide

C11H10BrF3N2O2 — CID 107336439

IUPACN-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c(Br)c1)C1CNC1
InChIInChI=1S/C11H10BrF3N2O2/c12-8-3-7(17-10(18)6-4-16-5-6)1-2-9(8)19-11(13,14)15/h1-3,6,16H,4-5H2,(H,17,18)
InChIKeyKGYABQZPRFPNPO-UHFFFAOYSA-N
MW339.11 g/mol
LogP2.51
Rot. Bonds3

About N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide

N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide (PubChem CID 107336439) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
PubChem CID107336439
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC NameN-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c(Br)c1)C1CNC1
InChIInChI=1S/C11H10BrF3N2O2/c12-8-3-7(17-10(18)6-4-16-5-6)1-2-9(8)19-11(13,14)15/h1-3,6,16H,4-5H2,(H,17,18)
InChIKeyKGYABQZPRFPNPO-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide
CID 107336426
3-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107336642
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
(E)-4-[3-bromo-4-(trifluoromethoxy)anilino]-4-oxobut-2-enoic acid
CID 107335805
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
CID 107336495
N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 107336437
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 107336406
N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide
CID 107336561
N-[3-bromo-4-(trifluoromethoxy)phenyl]-1-carbamothioylcyclopropane-1-carboxamide
CID 107336533
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-[3-bromo-4-(trifluoromethoxy)phenyl]piperidin-3-amine
CID 107335985

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
The IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide (CID 107336439) is N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
The canonical SMILES for N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)C1CNC1.
What is the InChIKey of N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
The InChIKey is KGYABQZPRFPNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c12-8-3-7(17-10(18)6-4-16-5-6)1-2-9(8)19-11(13,14)15/h1-3,6,16H,4-5H2,(H,17,18).
What are the key properties of N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide has a molecular weight of 339.11 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 107336439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).