N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide

C23H25ClN4O4 — CID 134793190

IUPACN-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N3CCC(C(=O)NCc4cccc(Cl)c4)C3)NC2=O)c1
InChIInChI=1S/C23H25ClN4O4/c1-32-19-7-3-6-18(11-19)28-14-20(26-23(28)31)22(30)27-9-8-16(13-27)21(29)25-12-15-4-2-5-17(24)10-15/h2-7,10-11,16,20H,8-9,12-14H2,1H3,(H,25,29)(H,26,31)
InChIKeyVRNRWICVSFECAB-UHFFFAOYSA-N
MW456.93 g/mol
LogP2.41
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 134793190) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
PubChem CID134793190
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N3CCC(C(=O)NCc4cccc(Cl)c4)C3)NC2=O)c1
InChIInChI=1S/C23H25ClN4O4/c1-32-19-7-3-6-18(11-19)28-14-20(26-23(28)31)22(30)27-9-8-16(13-27)21(29)25-12-15-4-2-5-17(24)10-15/h2-7,10-11,16,20H,8-9,12-14H2,1H3,(H,25,29)(H,26,31)
InChIKeyVRNRWICVSFECAB-UHFFFAOYSA-N
XLogP2.41
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide (CID 134793190) is N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)N3CCC(C(=O)NCc4cccc(Cl)c4)C3)NC2=O)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is VRNRWICVSFECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-32-19-7-3-6-18(11-19)28-14-20(26-23(28)31)22(30)27-9-8-16(13-27)21(29)25-12-15-4-2-5-17(24)10-15/h2-7,10-11,16,20H,8-9,12-14H2,1H3,(H,25,29)(H,26,31).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 456.93 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134793190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).