N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide

C16H16BrNO2 — CID 81004002

IUPACN-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1)C1CCCOC1
InChIInChI=1S/C16H16BrNO2/c17-14-5-3-12-9-15(6-4-11(12)8-14)18-16(19)13-2-1-7-20-10-13/h3-6,8-9,13H,1-2,7,10H2,(H,18,19)
InChIKeyYVOIAALFGDNSFR-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.97
Rot. Bonds2

About N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide

N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide (PubChem CID 81004002) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
PubChem CID81004002
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1)C1CCCOC1
InChIInChI=1S/C16H16BrNO2/c17-14-5-3-12-9-15(6-4-11(12)8-14)18-16(19)13-2-1-7-20-10-13/h3-6,8-9,13H,1-2,7,10H2,(H,18,19)
InChIKeyYVOIAALFGDNSFR-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
(3R)-N-(3-bromo-4-nitrophenyl)oxane-3-carboxamide
CID 97338451
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
CID 95629895
N-(3-formylphenyl)oxane-3-carboxamide
CID 106912673
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide
CID 80979361
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
CID 63015081

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide (CID 81004002) is N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide is O=C(Nc1ccc2cc(Br)ccc2c1)C1CCCOC1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide?
The InChIKey is YVOIAALFGDNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-14-5-3-12-9-15(6-4-11(12)8-14)18-16(19)13-2-1-7-20-10-13/h3-6,8-9,13H,1-2,7,10H2,(H,18,19).
What are the key properties of N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide?
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide has a molecular weight of 334.21 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide is sourced from PubChem (CID 81004002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).