(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H23ClN2O3 — CID 9217109

IUPAC(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)NCCc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C21H23ClN2O3/c1-2-27-19-6-4-3-5-18(19)24-14-16(13-20(24)25)21(26)23-12-11-15-7-9-17(22)10-8-15/h3-10,16H,2,11-14H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyJNXVVHIYTPJXMH-MRXNPFEDSA-N
MW386.88 g/mol
LogP3.45
Rot. Bonds7

About (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9217109) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9217109
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)NCCc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C21H23ClN2O3/c1-2-27-19-6-4-3-5-18(19)24-14-16(13-20(24)25)21(26)23-12-11-15-7-9-17(22)10-8-15/h3-10,16H,2,11-14H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyJNXVVHIYTPJXMH-MRXNPFEDSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986544
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653638
1-[4-[2-(Benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2957197
4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
CID 4857924
N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4883651
N-[2-(4-Chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 580158
1-(4-chlorophenethyl)-N-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815651
4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 11676220
2-(4-chlorophenyl)-N-(4-(3-morpholinopropoxy)phenyl)acetamide
CID 25014698
4-chloro-N-(4-pyrrolidin-3-yloxyphenyl)benzamide
CID 53250752
N-(3-chloro-2-methylphenyl)-5-oxo-1-[4-(propan-2-yloxy)phenyl]pyrrolidine-3-carboxamide
CID 2942596

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9217109) is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1C[C@H](C(=O)NCCc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JNXVVHIYTPJXMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-2-27-19-6-4-3-5-18(19)24-14-16(13-20(24)25)21(26)23-12-11-15-7-9-17(22)10-8-15/h3-10,16H,2,11-14H2,1H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9217109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).