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

C12H12BrF3N2O3 — CID 107336426

IUPAC4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C12H12BrF3N2O3/c13-8-3-6(1-2-10(8)21-12(14,15)16)18-11(19)7-4-20-5-9(7)17/h1-3,7,9H,4-5,17H2,(H,18,19)
InChIKeyYIWYMQDNGPUDAA-UHFFFAOYSA-N
MW369.14 g/mol
LogP2.26
Rot. Bonds3

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

4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide (PubChem CID 107336426) has the molecular formula C12H12BrF3N2O3 and a molecular weight of 369.14 g/mol. Its IUPAC name is 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide
PubChem CID107336426
Molecular FormulaC12H12BrF3N2O3
Molecular Weight369.14 g/mol
Exact Mass368.00
IUPAC Name4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C12H12BrF3N2O3/c13-8-3-6(1-2-10(8)21-12(14,15)16)18-11(19)7-4-20-5-9(7)17/h1-3,7,9H,4-5,17H2,(H,18,19)
InChIKeyYIWYMQDNGPUDAA-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 107336439
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide
CID 66235659
N-[3-bromo-4-(trifluoromethoxy)phenyl]oxetan-3-amine
CID 107335872
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide (CID 107336426) is 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide is NC1COCC1C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide?
The InChIKey is YIWYMQDNGPUDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O3/c13-8-3-6(1-2-10(8)21-12(14,15)16)18-11(19)7-4-20-5-9(7)17/h1-3,7,9H,4-5,17H2,(H,18,19).
What are the key properties of 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide?
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide has a molecular weight of 369.14 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 107336426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).