6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride

C14H16Cl2N2O2 — CID 119454003

IUPAC6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C14H15ClN2O2.ClH/c15-11-1-2-13-9(6-11)5-10(8-19-13)14(18)17-12-3-4-16-7-12;/h1-2,5-6,12,16H,3-4,7-8H2,(H,17,18);1H
InChIKeyUMUNLDYBIZLMOC-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.02
Rot. Bonds2

About 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride

6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119454003) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119454003
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C14H15ClN2O2.ClH/c15-11-1-2-13-9(6-11)5-10(8-19-13)14(18)17-12-3-4-16-7-12;/h1-2,5-6,12,16H,3-4,7-8H2,(H,17,18);1H
InChIKeyUMUNLDYBIZLMOC-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
6-chloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-chromene-3-carboxamide
CID 6930468
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide
CID 115878601

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride (CID 119454003) is 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is UMUNLDYBIZLMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2.ClH/c15-11-1-2-13-9(6-11)5-10(8-19-13)14(18)17-12-3-4-16-7-12;/h1-2,5-6,12,16H,3-4,7-8H2,(H,17,18);1H.
What are the key properties of 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride?
6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 315.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119454003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).