6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide

C16H20ClNO3 — CID 103772938

IUPAC6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H20ClNO3/c1-16(2,5-6-19)10-18-15(20)12-7-11-8-13(17)3-4-14(11)21-9-12/h3-4,7-8,19H,5-6,9-10H2,1-2H3,(H,18,20)
InChIKeyKRBZNULGSNFKKP-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.64
Rot. Bonds5

About 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide

6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide (PubChem CID 103772938) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
PubChem CID103772938
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H20ClNO3/c1-16(2,5-6-19)10-18-15(20)12-7-11-8-13(17)3-4-14(11)21-9-12/h3-4,7-8,19H,5-6,9-10H2,1-2H3,(H,18,20)
InChIKeyKRBZNULGSNFKKP-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
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-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
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
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
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide (CID 103772938) is 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide is CC(C)(CCO)CNC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide?
The InChIKey is KRBZNULGSNFKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-16(2,5-6-19)10-18-15(20)12-7-11-8-13(17)3-4-14(11)21-9-12/h3-4,7-8,19H,5-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide?
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide has a molecular weight of 309.79 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 103772938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).