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

C13H11BrClNO2 — CID 115594500

IUPACN-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
SMILESC=C(Br)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H11BrClNO2/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)
InChIKeySYLDHYKYVOHKJZ-UHFFFAOYSA-N
MW328.59 g/mol
LogP3.14
Rot. Bonds3

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

N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide (PubChem CID 115594500) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
PubChem CID115594500
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC NameN-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
SMILESC=C(Br)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H11BrClNO2/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)
InChIKeySYLDHYKYVOHKJZ-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(2-bromoprop-2-enyl)-2H-chromene-3-carboxamide
CID 113227499
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
CID 61234889
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide (CID 115594500) is N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide is C=C(Br)CNC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide?
The InChIKey is SYLDHYKYVOHKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/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 N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide?
N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide has a molecular weight of 328.59 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide is sourced from PubChem (CID 115594500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).