4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide

C13H17BrN2O2 — CID 66264602

IUPAC4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)COCC2N)cc1Br
InChIInChI=1S/C13H17BrN2O2/c1-8-3-4-9(5-10(8)14)16-12(17)13(2)7-18-6-11(13)15/h3-5,11H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyTZDPEWYBLHCDHA-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.06
Rot. Bonds2

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

4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide (PubChem CID 66264602) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
PubChem CID66264602
Molecular FormulaC13H17BrN2O2
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)COCC2N)cc1Br
InChIInChI=1S/C13H17BrN2O2/c1-8-3-4-9(5-10(8)14)16-12(17)13(2)7-18-6-11(13)15/h3-5,11H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyTZDPEWYBLHCDHA-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 82868045
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 107592357
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
CID 66248237
(E)-3-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342275
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249241
4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264173
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide (CID 66264602) is 4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide is Cc1ccc(NC(=O)C2(C)COCC2N)cc1Br.
What is the InChIKey of 4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is TZDPEWYBLHCDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8-3-4-9(5-10(8)14)16-12(17)13(2)7-18-6-11(13)15/h3-5,11H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66264602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).