2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide

C19H21ClN2O2 — CID 50747134

IUPAC2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-24-18-8-4-3-6-16(18)21-19(23)22-13-5-7-17(22)14-9-11-15(20)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H,21,23)
InChIKeyDEXAXCLROQRVHM-UHFFFAOYSA-N
MW344.84 g/mol
LogP5.11
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide

2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 50747134) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID50747134
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-24-18-8-4-3-6-16(18)21-19(23)22-13-5-7-17(22)14-9-11-15(20)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H,21,23)
InChIKeyDEXAXCLROQRVHM-UHFFFAOYSA-N
XLogP5.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.84
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 86986350
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503136
(2S)-N-(2-ethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079703
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443
(2R)-N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079939
(2S)-N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057927
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide (CID 50747134) is 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is DEXAXCLROQRVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-24-18-8-4-3-6-16(18)21-19(23)22-13-5-7-17(22)14-9-11-15(20)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide?
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50747134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).