1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide

C21H17ClN2O5 — CID 42651327

IUPAC1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O
InChIInChI=1S/C21H17ClN2O5/c1-28-18-5-3-14(22)10-16(18)24-11-13(9-19(24)25)21(27)23-15-4-6-17-12(8-15)2-7-20(26)29-17/h2-8,10,13H,9,11H2,1H3,(H,23,27)
InChIKeyWZJMMDCDQJPIMM-UHFFFAOYSA-N
MW412.83 g/mol
LogP3.45
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide (PubChem CID 42651327) has the molecular formula C21H17ClN2O5 and a molecular weight of 412.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
PubChem CID42651327
Molecular FormulaC21H17ClN2O5
Molecular Weight412.83 g/mol
Exact Mass412.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O
InChIInChI=1S/C21H17ClN2O5/c1-28-18-5-3-14(22)10-16(18)24-11-13(9-19(24)25)21(27)23-15-4-6-17-12(8-15)2-7-20(26)29-17/h2-8,10,13H,9,11H2,1H3,(H,23,27)
InChIKeyWZJMMDCDQJPIMM-UHFFFAOYSA-N
XLogP3.45
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8702152
1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 55978568
(3S)-1-(2-methoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 8762200
S-[4-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529741
1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 60520234
(3S)-1-(4-bromophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 39342440
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498458
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide (CID 42651327) is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is WZJMMDCDQJPIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5/c1-28-18-5-3-14(22)10-16(18)24-11-13(9-19(24)25)21(27)23-15-4-6-17-12(8-15)2-7-20(26)29-17/h2-8,10,13H,9,11H2,1H3,(H,23,27).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 412.83 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42651327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).