(2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide

C18H18Cl2N2O — CID 46884099

IUPAC(2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C18H18Cl2N2O/c19-15-8-14(9-16(20)10-15)13-5-3-12(4-6-13)11-22-18(23)17-2-1-7-21-17/h3-6,8-10,17,21H,1-2,7,11H2,(H,22,23)/t17-/m0/s1
InChIKeyNIJDBDOHWSEGPP-KRWDZBQOSA-N
MW349.26 g/mol
LogP4.03
Rot. Bonds4

About (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 46884099) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID46884099
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name(2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C18H18Cl2N2O/c19-15-8-14(9-16(20)10-15)13-5-3-12(4-6-13)11-22-18(23)17-2-1-7-21-17/h3-6,8-10,17,21H,1-2,7,11H2,(H,22,23)/t17-/m0/s1
InChIKeyNIJDBDOHWSEGPP-KRWDZBQOSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 46884099) is (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NIJDBDOHWSEGPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-15-8-14(9-16(20)10-15)13-5-3-12(4-6-13)11-22-18(23)17-2-1-7-21-17/h3-6,8-10,17,21H,1-2,7,11H2,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 349.26 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(3,5-dichlorophenyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46884099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).