3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide

C15H15BrN2O2 — CID 81259878

IUPAC3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc3cc(Br)ccc3c2)CCOC1
InChIInChI=1S/C15H15BrN2O2/c16-12-3-1-11-8-13(4-2-10(11)7-12)18-14(19)15(17)5-6-20-9-15/h1-4,7-8H,5-6,9,17H2,(H,18,19)
InChIKeyBKWIFXKXOCKAQV-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.66
Rot. Bonds2

About 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide

3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide (PubChem CID 81259878) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
PubChem CID81259878
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc3cc(Br)ccc3c2)CCOC1
InChIInChI=1S/C15H15BrN2O2/c16-12-3-1-11-8-13(4-2-10(11)7-12)18-14(19)15(17)5-6-20-9-15/h1-4,7-8H,5-6,9,17H2,(H,18,19)
InChIKeyBKWIFXKXOCKAQV-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180
4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
CID 113280618
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
CID 64893119
N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide
CID 81003405
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330
3-amino-N-(3-pyrrol-1-ylphenyl)oxolane-3-carboxamide
CID 64893967

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide (CID 81259878) is 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide is NC1(C(=O)Nc2ccc3cc(Br)ccc3c2)CCOC1.
What is the InChIKey of 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide?
The InChIKey is BKWIFXKXOCKAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-12-3-1-11-8-13(4-2-10(11)7-12)18-14(19)15(17)5-6-20-9-15/h1-4,7-8H,5-6,9,17H2,(H,18,19).
What are the key properties of 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide?
3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 81259878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).