6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide

C13H14ClNO3 — CID 83059499

IUPAC6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
SMILESC[C@H](O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H14ClNO3/c1-8(16)6-15-13(17)10-4-9-5-11(14)2-3-12(9)18-7-10/h2-5,8,16H,6-7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyPNQBWANSSPWVKY-QMMMGPOBSA-N
MW267.71 g/mol
LogP1.61
Rot. Bonds3

About 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide

6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide (PubChem CID 83059499) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
PubChem CID83059499
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
SMILESC[C@H](O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C13H14ClNO3/c1-8(16)6-15-13(17)10-4-9-5-11(14)2-3-12(9)18-7-10/h2-5,8,16H,6-7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyPNQBWANSSPWVKY-QMMMGPOBSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819
N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
CID 78884644
(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid
CID 107563784

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide (CID 83059499) is 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide is C[C@H](O)CNC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide?
The InChIKey is PNQBWANSSPWVKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8(16)6-15-13(17)10-4-9-5-11(14)2-3-12(9)18-7-10/h2-5,8,16H,6-7H2,1H3,(H,15,17)/t8-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide?
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide has a molecular weight of 267.71 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 83059499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).