6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

C23H23BrN2O4 — CID 95184777

IUPAC6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCCOc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C23H23BrN2O4/c1-2-28-21-8-4-3-7-19(21)26-23-18(22(27)25-14-17-6-5-11-29-17)13-15-12-16(24)9-10-20(15)30-23/h3-4,7-10,12-13,17H,2,5-6,11,14H2,1H3,(H,25,27)/b26-23-/t17-/m1/s1
InChIKeyLUAFKJNVTUEQBA-PIHGLKBESA-N
MW471.35 g/mol
LogP4.74
Rot. Bonds6

About 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 95184777) has the molecular formula C23H23BrN2O4 and a molecular weight of 471.35 g/mol. Its IUPAC name is 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID95184777
Molecular FormulaC23H23BrN2O4
Molecular Weight471.35 g/mol
Exact Mass470.08
IUPAC Name6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCCOc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C23H23BrN2O4/c1-2-28-21-8-4-3-7-19(21)26-23-18(22(27)25-14-17-6-5-11-29-17)13-15-12-16(24)9-10-20(15)30-23/h3-4,7-10,12-13,17H,2,5-6,11,14H2,1H3,(H,25,27)/b26-23-/t17-/m1/s1
InChIKeyLUAFKJNVTUEQBA-PIHGLKBESA-N
XLogP4.74
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-(2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184747
6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184810
6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 95184825
6-bromo-2-(3-fluoro-2-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366947
6-bromo-2-(5-chloro-2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184843
6-bromo-2-(3-chloro-2-fluorophenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366926
ethyl 4-[[6-bromo-3-(oxolan-2-ylmethylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 51366912
6-bromo-2-(2-fluoro-5-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184857
6-bromo-2-(4-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184750
6-bromo-2-(3-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366891
6-bromo-2-(4-methylsulfanylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184855
6-bromo-2-(3-chloro-4-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184848

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 95184777) is 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is CCOc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is LUAFKJNVTUEQBA-PIHGLKBESA-N. The full InChI is InChI=1S/C23H23BrN2O4/c1-2-28-21-8-4-3-7-19(21)26-23-18(22(27)25-14-17-6-5-11-29-17)13-15-12-16(24)9-10-20(15)30-23/h3-4,7-10,12-13,17H,2,5-6,11,14H2,1H3,(H,25,27)/b26-23-/t17-/m1/s1.
What are the key properties of 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 471.35 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 95184777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).