6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide

C13H14ClNO4 — CID 66177068

IUPAC6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
SMILESO=C(NCC(O)CO)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H14ClNO4/c14-10-1-2-12-8(4-10)3-9(7-19-12)13(18)15-5-11(17)6-16/h1-4,11,16-17H,5-7H2,(H,15,18)
InChIKeyBWSJHMMXVKWWJR-UHFFFAOYSA-N
MW283.71 g/mol
LogP0.59
Rot. Bonds4

About 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide

6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide (PubChem CID 66177068) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
PubChem CID66177068
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
SMILESO=C(NCC(O)CO)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H14ClNO4/c14-10-1-2-12-8(4-10)3-9(7-19-12)13(18)15-5-11(17)6-16/h1-4,11,16-17H,5-7H2,(H,15,18)
InChIKeyBWSJHMMXVKWWJR-UHFFFAOYSA-N
XLogP0.59
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
CID 61234889
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide
CID 115878601

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide (CID 66177068) is 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide is O=C(NCC(O)CO)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide?
The InChIKey is BWSJHMMXVKWWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-10-1-2-12-8(4-10)3-9(7-19-12)13(18)15-5-11(17)6-16/h1-4,11,16-17H,5-7H2,(H,15,18).
What are the key properties of 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide?
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide has a molecular weight of 283.71 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 66177068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).