6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide

C15H16BrNO3 — CID 78957328

IUPAC6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide
SMILESCC1(CNC(=O)C2=Cc3cc(Br)ccc3OC2)COC1
InChIInChI=1S/C15H16BrNO3/c1-15(8-19-9-15)7-17-14(18)11-4-10-5-12(16)2-3-13(10)20-6-11/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyRSYUOSMMAVMAML-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.38
Rot. Bonds3

About 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide

6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide (PubChem CID 78957328) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide
PubChem CID78957328
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide
SMILESCC1(CNC(=O)C2=Cc3cc(Br)ccc3OC2)COC1
InChIInChI=1S/C15H16BrNO3/c1-15(8-19-9-15)7-17-14(18)11-4-10-5-12(16)2-3-13(10)20-6-11/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyRSYUOSMMAVMAML-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide
CID 113227499
(2S)-4-[(6-bromo-2H-chromene-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834199
6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide
CID 103280040
6-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2H-chromene-3-carboxamide
CID 103801126
6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
CID 22578485
2-[(6-bromo-2H-chromene-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357667
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2H-chromene-3-carboxamide
CID 22578541
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2H-chromene-3-carboxamide
CID 64546411
6-bromo-N-(1-hydroxypropan-2-yl)-N-methyl-2H-chromene-3-carboxamide
CID 112548223
2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956667
(E)-2-[(6-bromo-2H-chromene-3-carbonyl)amino]hex-4-enoic acid
CID 120694172
6-bromo-N-(3-nitrophenyl)-2H-chromene-3-carboxamide
CID 24618299

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide (CID 78957328) is 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide is CC1(CNC(=O)C2=Cc3cc(Br)ccc3OC2)COC1.
What is the InChIKey of 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is RSYUOSMMAVMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-15(8-19-9-15)7-17-14(18)11-4-10-5-12(16)2-3-13(10)20-6-11/h2-5H,6-9H2,1H3,(H,17,18).
What are the key properties of 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide?
6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 78957328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).