N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C20H17ClN2O2 — CID 90548751

IUPACN-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCC#Cc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H17ClN2O2/c21-18-11-5-4-7-15(18)8-6-12-22-20(25)16-13-19(24)23(14-16)17-9-2-1-3-10-17/h1-5,7,9-11,16H,12-14H2,(H,22,25)
InChIKeyYQNQTAJVIXGBMK-UHFFFAOYSA-N
MW352.82 g/mol
LogP2.86
Rot. Bonds3

About N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 90548751) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID90548751
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCC#Cc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H17ClN2O2/c21-18-11-5-4-7-15(18)8-6-12-22-20(25)16-13-19(24)23(14-16)17-9-2-1-3-10-17/h1-5,7,9-11,16H,12-14H2,(H,22,25)
InChIKeyYQNQTAJVIXGBMK-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90548213
1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide
CID 51332420
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90578157
N-[1-(2-chlorophenyl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46407436
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 90548751) is N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCC#Cc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YQNQTAJVIXGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-18-11-5-4-7-15(18)8-6-12-22-20(25)16-13-19(24)23(14-16)17-9-2-1-3-10-17/h1-5,7,9-11,16H,12-14H2,(H,22,25).
What are the key properties of N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 90548751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).