2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H14BrNO3 — CID 170651023

IUPAC2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2OC1c1cc(Br)ccc1O
InChIInChI=1S/C16H14BrNO3/c17-10-5-6-13(19)11(8-10)15-12(16(18)20)7-9-3-1-2-4-14(9)21-15/h1-6,8,12,15,19H,7H2,(H2,18,20)
InChIKeyZDDUVNLXIQZXQJ-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.93
Rot. Bonds2

About 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 170651023) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID170651023
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2OC1c1cc(Br)ccc1O
InChIInChI=1S/C16H14BrNO3/c17-10-5-6-13(19)11(8-10)15-12(16(18)20)7-9-3-1-2-4-14(9)21-15/h1-6,8,12,15,19H,7H2,(H2,18,20)
InChIKeyZDDUVNLXIQZXQJ-UHFFFAOYSA-N
XLogP2.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 173469821
5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 130734966
(3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 129363709
3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 11359030
(1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide
CID 10681080
5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoic acid
CID 66364945
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
4-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 114907271
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
(2S,3S)-2-(difluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 171921029
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61125933

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 170651023) is 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is NC(=O)C1Cc2ccccc2OC1c1cc(Br)ccc1O.
What is the InChIKey of 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZDDUVNLXIQZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c17-10-5-6-13(19)11(8-10)15-12(16(18)20)7-9-3-1-2-4-14(9)21-15/h1-6,8,12,15,19H,7H2,(H2,18,20).
What are the key properties of 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 170651023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).