N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C25H29ClN2O2 — CID 126698687

IUPACN-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCC/C=C(/CCNC(=O)C1CC(=O)N(c2ccccc2)C1)c1cc(Cl)ccc1C
InChIInChI=1S/C25H29ClN2O2/c1-3-4-8-19(23-16-21(26)12-11-18(23)2)13-14-27-25(30)20-15-24(29)28(17-20)22-9-6-5-7-10-22/h5-12,16,20H,3-4,13-15,17H2,1-2H3,(H,27,30)/b19-8-
InChIKeyRQOSDAIORNPFLG-UWVJOHFNSA-N
MW424.97 g/mol
LogP5.39
Rot. Bonds8

About N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 126698687) has the molecular formula C25H29ClN2O2 and a molecular weight of 424.97 g/mol. Its IUPAC name is N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID126698687
Molecular FormulaC25H29ClN2O2
Molecular Weight424.97 g/mol
Exact Mass424.19
IUPAC NameN-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCC/C=C(/CCNC(=O)C1CC(=O)N(c2ccccc2)C1)c1cc(Cl)ccc1C
InChIInChI=1S/C25H29ClN2O2/c1-3-4-8-19(23-16-21(26)12-11-18(23)2)13-14-27-25(30)20-15-24(29)28(17-20)22-9-6-5-7-10-22/h5-12,16,20H,3-4,13-15,17H2,1-2H3,(H,27,30)/b19-8-
InChIKeyRQOSDAIORNPFLG-UWVJOHFNSA-N
XLogP5.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.97
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 126698951
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
(3S)-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39351536
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
CID 29136225
(3R)-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29138872
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 126698687) is N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCC/C=C(/CCNC(=O)C1CC(=O)N(c2ccccc2)C1)c1cc(Cl)ccc1C.
What is the InChIKey of N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is RQOSDAIORNPFLG-UWVJOHFNSA-N. The full InChI is InChI=1S/C25H29ClN2O2/c1-3-4-8-19(23-16-21(26)12-11-18(23)2)13-14-27-25(30)20-15-24(29)28(17-20)22-9-6-5-7-10-22/h5-12,16,20H,3-4,13-15,17H2,1-2H3,(H,27,30)/b19-8-.
What are the key properties of N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 424.97 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(5-chloro-2-methylphenyl)hept-3-enyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126698687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).