(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide

C17H21ClN2O3 — CID 95348750

IUPAC(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCC2(c3ccccc3Cl)CCOCC2)N1
InChIInChI=1S/C17H21ClN2O3/c18-13-4-2-1-3-12(13)17(7-9-23-10-8-17)11-19-16(22)14-5-6-15(21)20-14/h1-4,14H,5-11H2,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyVFVVYSWFBIAGCG-CQSZACIVSA-N
MW336.82 g/mol
LogP1.78
Rot. Bonds4

About (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95348750) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95348750
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCC2(c3ccccc3Cl)CCOCC2)N1
InChIInChI=1S/C17H21ClN2O3/c18-13-4-2-1-3-12(13)17(7-9-23-10-8-17)11-19-16(22)14-5-6-15(21)20-14/h1-4,14H,5-11H2,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyVFVVYSWFBIAGCG-CQSZACIVSA-N
XLogP1.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348749
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119320200
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119320203
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide
CID 154868234
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111105530
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide
CID 86895658

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 95348750) is (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NCC2(c3ccccc3Cl)CCOCC2)N1.
What is the InChIKey of (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VFVVYSWFBIAGCG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-13-4-2-1-3-12(13)17(7-9-23-10-8-17)11-19-16(22)14-5-6-15(21)20-14/h1-4,14H,5-11H2,(H,19,22)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95348750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).