N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide

C16H16BrNO2 — CID 81003405

IUPACN-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2ccc3cc(Br)ccc3c2)CCCO1
InChIInChI=1S/C16H16BrNO2/c1-16(7-2-8-20-16)15(19)18-14-6-4-11-9-13(17)5-3-12(11)10-14/h3-6,9-10H,2,7-8H2,1H3,(H,18,19)
InChIKeyRQCWZDQYPAKOAO-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.11
Rot. Bonds2

About N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide

N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide (PubChem CID 81003405) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide
PubChem CID81003405
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2ccc3cc(Br)ccc3c2)CCCO1
InChIInChI=1S/C16H16BrNO2/c1-16(7-2-8-20-16)15(19)18-14-6-4-11-9-13(17)5-3-12(11)10-14/h3-6,9-10H,2,7-8H2,1H3,(H,18,19)
InChIKeyRQCWZDQYPAKOAO-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide
CID 81037060
N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide
CID 102820636
(2S)-N-(4-hydroxy-3-nitrophenyl)-2-methyloxolane-2-carboxamide
CID 99718443
2-[5-[(2-methyloxolane-2-carbonyl)amino]indol-1-yl]acetic acid
CID 119235436
3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
CID 81259878
N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide
CID 82884665
(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide
CID 51498983
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide
CID 104780599
2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 43818795
(2R)-2-[[4-[[(2S)-2-methyloxolane-2-carbonyl]amino]benzoyl]amino]propanoic acid
CID 125120217
(2R)-N-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-methyloxolane-2-carboxamide
CID 51492899
N-(6-chloro-5-methyl-3-pyridinyl)-2-methyloxolane-2-carboxamide
CID 103747057

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide (CID 81003405) is N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide is CC1(C(=O)Nc2ccc3cc(Br)ccc3c2)CCCO1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide?
The InChIKey is RQCWZDQYPAKOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-16(7-2-8-20-16)15(19)18-14-6-4-11-9-13(17)5-3-12(11)10-14/h3-6,9-10H,2,7-8H2,1H3,(H,18,19).
What are the key properties of N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide?
N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide has a molecular weight of 334.21 g/mol, XLogP of 4.11, 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)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 81003405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).