(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

C14H18Cl2N2O2 — CID 97075950

IUPAC(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-14(2,20)12-4-3-7-18(12)13(19)17-11-8-9(15)5-6-10(11)16/h5-6,8,12,20H,3-4,7H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyYXRWVDBUCZGMLB-GFCCVEGCSA-N
MW317.22 g/mol
LogP3.76
Rot. Bonds2

About (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 97075950) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID97075950
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-14(2,20)12-4-3-7-18(12)13(19)17-11-8-9(15)5-6-10(11)16/h5-6,8,12,20H,3-4,7H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyYXRWVDBUCZGMLB-GFCCVEGCSA-N
XLogP3.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (CID 97075950) is (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is CC(C)(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is YXRWVDBUCZGMLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-14(2,20)12-4-3-7-18(12)13(19)17-11-8-9(15)5-6-10(11)16/h5-6,8,12,20H,3-4,7H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97075950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).