6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide

C15H16ClNO3 — CID 115878601

IUPAC6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide
SMILESO=C(NC1(CO)CCC1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C15H16ClNO3/c16-12-2-3-13-10(7-12)6-11(8-20-13)14(19)17-15(9-18)4-1-5-15/h2-3,6-7,18H,1,4-5,8-9H2,(H,17,19)
InChIKeyXPUVZRMKDRYWNO-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.15
Rot. Bonds3

About 6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide

6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide (PubChem CID 115878601) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide
PubChem CID115878601
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide
SMILESO=C(NC1(CO)CCC1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C15H16ClNO3/c16-12-2-3-13-10(7-12)6-11(8-20-13)14(19)17-15(9-18)4-1-5-15/h2-3,6-7,18H,1,4-5,8-9H2,(H,17,19)
InChIKeyXPUVZRMKDRYWNO-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(6-chloro-2H-chromene-3-carbonyl)amino]thiolane-3-carboxylic acid
CID 125148475
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
(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-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide (CID 115878601) is 6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide is O=C(NC1(CO)CCC1)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide?
The InChIKey is XPUVZRMKDRYWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-12-2-3-13-10(7-12)6-11(8-20-13)14(19)17-15(9-18)4-1-5-15/h2-3,6-7,18H,1,4-5,8-9H2,(H,17,19).
What are the key properties of 6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide?
6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 115878601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).