5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride

C17H14ClNO2 — CID 50873745

IUPAC5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)C1CC(=O)N(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H14ClNO2/c18-17(21)14-10-16(20)19(11-14)15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14H,10-11H2
InChIKeyBUJKLBVGHQVXGW-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.47
Rot. Bonds3

About 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride

5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride (PubChem CID 50873745) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride.

Molecular Properties

Compound Name5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
PubChem CID50873745
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
SMILESO=C(Cl)C1CC(=O)N(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H14ClNO2/c18-17(21)14-10-16(20)19(11-14)15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14H,10-11H2
InChIKeyBUJKLBVGHQVXGW-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-carbonochloridoylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 98128605
1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398727
(3R)-1-[4-(1,3-benzothiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 94077666
(3R)-5-oxo-1-(2-phenyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carbonyl chloride
CID 94671672
(3S)-5-oxo-1-(2-phenyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carbonyl chloride
CID 94671673
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879672
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 99988733
5-oxo-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carbonyl chloride
CID 50879693

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride?
The IUPAC name of 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride (CID 50873745) is 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride.
What is the SMILES notation for 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride?
The canonical SMILES for 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride is O=C(Cl)C1CC(=O)N(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride?
The InChIKey is BUJKLBVGHQVXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-17(21)14-10-16(20)19(11-14)15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14H,10-11H2.
What are the key properties of 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride?
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride has a molecular weight of 299.76 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride is sourced from PubChem (CID 50873745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).