N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride

C23H24Cl2N2O3 — CID 52988407

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride
SMILESCc1ccc2c(=O)cc(C(=O)NCC(c3ccccc3Cl)N3CCCC3)oc2c1.Cl
InChIInChI=1S/C23H23ClN2O3.ClH/c1-15-8-9-17-20(27)13-22(29-21(17)12-15)23(28)25-14-19(26-10-4-5-11-26)16-6-2-3-7-18(16)24;/h2-3,6-9,12-13,19H,4-5,10-11,14H2,1H3,(H,25,28);1H
InChIKeyLKERJECNRRXMQQ-UHFFFAOYSA-N
MW447.36 g/mol
LogP4.74
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 52988407) has the molecular formula C23H24Cl2N2O3 and a molecular weight of 447.36 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride
PubChem CID52988407
Molecular FormulaC23H24Cl2N2O3
Molecular Weight447.36 g/mol
Exact Mass446.12
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride
SMILESCc1ccc2c(=O)cc(C(=O)NCC(c3ccccc3Cl)N3CCCC3)oc2c1.Cl
InChIInChI=1S/C23H23ClN2O3.ClH/c1-15-8-9-17-20(27)13-22(29-21(17)12-15)23(28)25-14-19(26-10-4-5-11-26)16-6-2-3-7-18(16)24;/h2-3,6-9,12-13,19H,4-5,10-11,14H2,1H3,(H,25,28);1H
InChIKeyLKERJECNRRXMQQ-UHFFFAOYSA-N
XLogP4.74
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35575863
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 43843789
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35574690
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 35574240
6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35573765
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606
6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578842
6-chloro-7-methyl-4-oxo-N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578846
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651
6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26835057
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17013868

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride (CID 52988407) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride is Cc1ccc2c(=O)cc(C(=O)NCC(c3ccccc3Cl)N3CCCC3)oc2c1.Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride?
The InChIKey is LKERJECNRRXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3.ClH/c1-15-8-9-17-20(27)13-22(29-21(17)12-15)23(28)25-14-19(26-10-4-5-11-26)16-6-2-3-7-18(16)24;/h2-3,6-9,12-13,19H,4-5,10-11,14H2,1H3,(H,25,28);1H.
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 447.36 g/mol, XLogP of 4.74, 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]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 52988407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).