4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide

C18H21ClN2O2 — CID 95096640

IUPAC4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C18H21ClN2O2/c1-2-21-12-14(13-5-7-15(19)8-6-13)10-17(21)18(22)20-11-16-4-3-9-23-16/h5-8,10,12,16H,2-4,9,11H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyOSSUCWZEVFMONY-INIZCTEOSA-N
MW332.83 g/mol
LogP3.74
Rot. Bonds5

About 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide

4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide (PubChem CID 95096640) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
PubChem CID95096640
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C18H21ClN2O2/c1-2-21-12-14(13-5-7-15(19)8-6-13)10-17(21)18(22)20-11-16-4-3-9-23-16/h5-8,10,12,16H,2-4,9,11H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyOSSUCWZEVFMONY-INIZCTEOSA-N
XLogP3.74
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612266
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472669
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45212982
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide (CID 95096640) is 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide is CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is OSSUCWZEVFMONY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-21-12-14(13-5-7-15(19)8-6-13)10-17(21)18(22)20-11-16-4-3-9-23-16/h5-8,10,12,16H,2-4,9,11H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide?
4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 95096640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).