6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide

C13H11Br2NO2 — CID 113227499

IUPAC6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide
SMILESC=C(Br)CNC(=O)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C13H11Br2NO2/c1-8(14)6-16-13(17)10-4-9-5-11(15)2-3-12(9)18-7-10/h2-5H,1,6-7H2,(H,16,17)
InChIKeyDAIWNOWHBZDIRH-UHFFFAOYSA-N
MW373.04 g/mol
LogP3.25
Rot. Bonds3

About 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide

6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide (PubChem CID 113227499) has the molecular formula C13H11Br2NO2 and a molecular weight of 373.04 g/mol. Its IUPAC name is 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide
PubChem CID113227499
Molecular FormulaC13H11Br2NO2
Molecular Weight373.04 g/mol
Exact Mass370.92
IUPAC Name6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide
SMILESC=C(Br)CNC(=O)C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C13H11Br2NO2/c1-8(14)6-16-13(17)10-4-9-5-11(15)2-3-12(9)18-7-10/h2-5H,1,6-7H2,(H,16,17)
InChIKeyDAIWNOWHBZDIRH-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500
6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide
CID 103280040
6-bromo-N-[(3-methyloxetan-3-yl)methyl]-2H-chromene-3-carboxamide
CID 78957328
(2S)-4-[(6-bromo-2H-chromene-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834199
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
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
(E)-2-[(6-bromo-2H-chromene-3-carbonyl)amino]hex-4-enoic acid
CID 120694172

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide (CID 113227499) is 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide is C=C(Br)CNC(=O)C1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide?
The InChIKey is DAIWNOWHBZDIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2/c1-8(14)6-16-13(17)10-4-9-5-11(15)2-3-12(9)18-7-10/h2-5H,1,6-7H2,(H,16,17).
What are the key properties of 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide?
6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide has a molecular weight of 373.04 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 113227499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).