6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide

C16H20ClNO3 — CID 103919029

IUPAC6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
SMILESO=C(NCCCCCCO)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H20ClNO3/c17-14-5-6-15-12(10-14)9-13(11-21-15)16(20)18-7-3-1-2-4-8-19/h5-6,9-10,19H,1-4,7-8,11H2,(H,18,20)
InChIKeyNRKLOLNSJLFMGX-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.78
Rot. Bonds7

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

6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide (PubChem CID 103919029) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
PubChem CID103919029
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
SMILESO=C(NCCCCCCO)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H20ClNO3/c17-14-5-6-15-12(10-14)9-13(11-21-15)16(20)18-7-3-1-2-4-8-19/h5-6,9-10,19H,1-4,7-8,11H2,(H,18,20)
InChIKeyNRKLOLNSJLFMGX-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
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-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
CID 61234889
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
N-[4-[4-(3-acetamidophenyl)piperazin-1-yl]butyl]-6-chloro-2H-chromene-3-carboxamide
CID 59178321
6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide
CID 115878601
6-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2H-chromene-3-carboxamide
CID 103801126

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide (CID 103919029) is 6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide is O=C(NCCCCCCO)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide?
The InChIKey is NRKLOLNSJLFMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-5-6-15-12(10-14)9-13(11-21-15)16(20)18-7-3-1-2-4-8-19/h5-6,9-10,19H,1-4,7-8,11H2,(H,18,20).
What are the key properties of 6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide?
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide has a molecular weight of 309.79 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 103919029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).