(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride

C14H15ClN2O3 — CID 94076327

IUPAC(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride
SMILESCCC(=O)Nc1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1
InChIInChI=1S/C14H15ClN2O3/c1-2-12(18)16-10-4-3-5-11(7-10)17-8-9(14(15)20)6-13(17)19/h3-5,7,9H,2,6,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyFWQZQZUNVHNPIO-SECBINFHSA-N
MW294.74 g/mol
LogP2.15
Rot. Bonds4

About (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride

(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride (PubChem CID 94076327) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride.

Molecular Properties

Compound Name(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride
PubChem CID94076327
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride
SMILESCCC(=O)Nc1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1
InChIInChI=1S/C14H15ClN2O3/c1-2-12(18)16-10-4-3-5-11(7-10)17-8-9(14(15)20)6-13(17)19/h3-5,7,9H,2,6,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyFWQZQZUNVHNPIO-SECBINFHSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
CID 50874012
(3S)-1-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 94076341
1-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 50874068
(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 94076368
(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid
CID 95121101
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 99988733
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxyacetamide
CID 168507417

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride?
The IUPAC name of (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride (CID 94076327) is (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride.
What is the SMILES notation for (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride?
The canonical SMILES for (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride is CCC(=O)Nc1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1.
What is the InChIKey of (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride?
The InChIKey is FWQZQZUNVHNPIO-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-2-12(18)16-10-4-3-5-11(7-10)17-8-9(14(15)20)6-13(17)19/h3-5,7,9H,2,6,8H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride?
(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride has a molecular weight of 294.74 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride is sourced from PubChem (CID 94076327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).