(3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide

C19H20ClN3O2 — CID 97062320

IUPAC(3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-21-18(24)14-7-8-17(16(20)11-14)22-19(25)23-10-9-15(12-23)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyYIBGIPFSZFSIDS-HNNXBMFYSA-N
MW357.84 g/mol
LogP3.72
Rot. Bonds3

About (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide

(3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide (PubChem CID 97062320) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide
PubChem CID97062320
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name(3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-21-18(24)14-7-8-17(16(20)11-14)22-19(25)23-10-9-15(12-23)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyYIBGIPFSZFSIDS-HNNXBMFYSA-N
XLogP3.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide (CID 97062320) is (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide is CNC(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c(Cl)c1.
What is the InChIKey of (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is YIBGIPFSZFSIDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-21-18(24)14-7-8-17(16(20)11-14)22-19(25)23-10-9-15(12-23)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide?
(3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-chloro-4-(methylcarbamoyl)phenyl]-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97062320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).