4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide

C13H16BrFN2O2 — CID 107592357

IUPAC4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C13H16BrFN2O2/c1-7-3-9(15)8(14)4-10(7)17-12(18)13(2)6-19-5-11(13)16/h3-4,11H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyMIVDYUUYYRDFLG-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.20
Rot. Bonds2

About 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide

4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide (PubChem CID 107592357) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
PubChem CID107592357
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C13H16BrFN2O2/c1-7-3-9(15)8(14)4-10(7)17-12(18)13(2)6-19-5-11(13)16/h3-4,11H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyMIVDYUUYYRDFLG-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
CID 66248237
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66250036
4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264173
4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
CID 66263329
1-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)cycloheptane-1-carboxamide
CID 107592153
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 82868045
2-amino-N-(4-bromo-2,5-difluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 107611664
3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
CID 103269164
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197
N-(5-bromo-4-fluoro-2-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 107593436

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide (CID 107592357) is 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is MIVDYUUYYRDFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-7-3-9(15)8(14)4-10(7)17-12(18)13(2)6-19-5-11(13)16/h3-4,11H,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 331.19 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 107592357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).