N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide

C13H13ClN2O3 — CID 47014819

IUPACN-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Cl)ccc2OC1)C(N)=O
InChIInChI=1S/C13H13ClN2O3/c1-7(12(15)17)16-13(18)9-4-8-5-10(14)2-3-11(8)19-6-9/h2-5,7H,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyHPLFUMXBLHUJRK-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.11
Rot. Bonds3

About N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide

N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide (PubChem CID 47014819) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
PubChem CID47014819
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2cc(Cl)ccc2OC1)C(N)=O
InChIInChI=1S/C13H13ClN2O3/c1-7(12(15)17)16-13(18)9-4-8-5-10(14)2-3-11(8)19-6-9/h2-5,7H,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyHPLFUMXBLHUJRK-UHFFFAOYSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid
CID 107563784
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 60532279
6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide
CID 47013832
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide
CID 25338137
N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide
CID 95981582

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide (CID 47014819) is N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide is CC(NC(=O)C1=Cc2cc(Cl)ccc2OC1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide?
The InChIKey is HPLFUMXBLHUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-7(12(15)17)16-13(18)9-4-8-5-10(14)2-3-11(8)19-6-9/h2-5,7H,6H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide has a molecular weight of 280.71 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide is sourced from PubChem (CID 47014819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).