6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide

C18H17ClN2O4 — CID 26834060

IUPAC6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccco1
InChIInChI=1S/C18H17ClN2O4/c1-21(2)13(16-4-3-7-24-16)10-20-18(23)17-9-14(22)12-8-11(19)5-6-15(12)25-17/h3-9,13H,10H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyBGWCVRKIUCQMIP-CYBMUJFWSA-N
MW360.80 g/mol
LogP3.07
Rot. Bonds5

About 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide

6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 26834060) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID26834060
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccco1
InChIInChI=1S/C18H17ClN2O4/c1-21(2)13(16-4-3-7-24-16)10-20-18(23)17-9-14(22)12-8-11(19)5-6-15(12)25-17/h3-9,13H,10H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyBGWCVRKIUCQMIP-CYBMUJFWSA-N
XLogP3.07
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
CID 26834146
6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 146052662
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 9481083
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 94108532
2-(5-chloro-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 110621183
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 7709216
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 35575343
6-bromo-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155004
6-ethyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509494
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51251068
6-bromo-N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-4-oxochromene-2-carboxamide
CID 35575980
6-chloro-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155230

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide (CID 26834060) is 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide is CN(C)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccco1.
What is the InChIKey of 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is BGWCVRKIUCQMIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-21(2)13(16-4-3-7-24-16)10-20-18(23)17-9-14(22)12-8-11(19)5-6-15(12)25-17/h3-9,13H,10H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide?
6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 26834060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).