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

C21H18BrClN2O3 — CID 95184810

IUPAC6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1Cl
InChIInChI=1S/C21H18BrClN2O3/c22-14-7-8-19-13(10-14)11-16(20(26)24-12-15-4-3-9-27-15)21(28-19)25-18-6-2-1-5-17(18)23/h1-2,5-8,10-11,15H,3-4,9,12H2,(H,24,26)/b25-21-/t15-/m0/s1
InChIKeyKLYBELJIHOFVLV-RPKJYVOXSA-N
MW461.74 g/mol
LogP4.99
Rot. Bonds4

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

6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 95184810) has the molecular formula C21H18BrClN2O3 and a molecular weight of 461.74 g/mol. Its IUPAC name is 6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID95184810
Molecular FormulaC21H18BrClN2O3
Molecular Weight461.74 g/mol
Exact Mass460.02
IUPAC Name6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1Cl
InChIInChI=1S/C21H18BrClN2O3/c22-14-7-8-19-13(10-14)11-16(20(26)24-12-15-4-3-9-27-15)21(28-19)25-18-6-2-1-5-17(18)23/h1-2,5-8,10-11,15H,3-4,9,12H2,(H,24,26)/b25-21-/t15-/m0/s1
InChIKeyKLYBELJIHOFVLV-RPKJYVOXSA-N
XLogP4.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.74
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(3-chloro-2-fluorophenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366926
6-bromo-2-(2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184747
6-bromo-N-[[(2R)-oxolan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 95184825
6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184777
6-bromo-2-(5-chloro-2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184843
6-bromo-2-(3-fluoro-2-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366947
6-bromo-2-(3-chloro-4-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184848
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-chloro-2-(5-chloro-2-fluorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184990
6-bromo-2-(4-methylsulfanylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184855

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 95184810) is 6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1Cl.
What is the InChIKey of 6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is KLYBELJIHOFVLV-RPKJYVOXSA-N. The full InChI is InChI=1S/C21H18BrClN2O3/c22-14-7-8-19-13(10-14)11-16(20(26)24-12-15-4-3-9-27-15)21(28-19)25-18-6-2-1-5-17(18)23/h1-2,5-8,10-11,15H,3-4,9,12H2,(H,24,26)/b25-21-/t15-/m0/s1.
What are the key properties of 6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 461.74 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 95184810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).