N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

C24H25ClN2O3 — CID 43843789

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)NCC(c3ccccc3Cl)N3CCCC3)cc(=O)c2c1
InChIInChI=1S/C24H25ClN2O3/c1-15-11-16(2)23-18(12-15)21(28)13-22(30-23)24(29)26-14-20(27-9-5-6-10-27)17-7-3-4-8-19(17)25/h3-4,7-8,11-13,20H,5-6,9-10,14H2,1-2H3,(H,26,29)
InChIKeyJKQUCPHEGWVBLH-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.63
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 43843789) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID43843789
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)NCC(c3ccccc3Cl)N3CCCC3)cc(=O)c2c1
InChIInChI=1S/C24H25ClN2O3/c1-15-11-16(2)23-18(12-15)21(28)13-22(30-23)24(29)26-14-20(27-9-5-6-10-27)17-7-3-4-8-19(17)25/h3-4,7-8,11-13,20H,5-6,9-10,14H2,1-2H3,(H,26,29)
InChIKeyJKQUCPHEGWVBLH-UHFFFAOYSA-N
XLogP4.63
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35574690
6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride
CID 52988443
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride
CID 52988407
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide;hydrochloride
CID 146052473
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35574710
N-[(2S)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35671550
7-bromo-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35575863
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35574687
6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 35574751
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 22509491
N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35577753
6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35573765

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (CID 43843789) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is Cc1cc(C)c2oc(C(=O)NCC(c3ccccc3Cl)N3CCCC3)cc(=O)c2c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is JKQUCPHEGWVBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-15-11-16(2)23-18(12-15)21(28)13-22(30-23)24(29)26-14-20(27-9-5-6-10-27)17-7-3-4-8-19(17)25/h3-4,7-8,11-13,20H,5-6,9-10,14H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 43843789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).