N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C23H25ClN4O3 — CID 60560360

IUPACN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C23H25ClN4O3/c24-17-5-2-7-19(12-17)28-14-16(11-21(28)29)23(31)26-18-6-1-4-15(10-18)13-27-9-3-8-20(27)22(25)30/h1-2,4-7,10,12,16,20H,3,8-9,11,13-14H2,(H2,25,30)(H,26,31)
InChIKeyBEJMMSYOWHTLNG-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.78
Rot. Bonds6

About N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 60560360) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID60560360
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C23H25ClN4O3/c24-17-5-2-7-19(12-17)28-14-16(11-21(28)29)23(31)26-18-6-1-4-15(10-18)13-27-9-3-8-20(27)22(25)30/h1-2,4-7,10,12,16,20H,3,8-9,11,13-14H2,(H2,25,30)(H,26,31)
InChIKeyBEJMMSYOWHTLNG-UHFFFAOYSA-N
XLogP2.78
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60560469
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 46596513
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 51939029
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119856251
1-[[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985756
N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 60560360) is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c1.
What is the InChIKey of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BEJMMSYOWHTLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-17-5-2-7-19(12-17)28-14-16(11-21(28)29)23(31)26-18-6-1-4-15(10-18)13-27-9-3-8-20(27)22(25)30/h1-2,4-7,10,12,16,20H,3,8-9,11,13-14H2,(H2,25,30)(H,26,31).
What are the key properties of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60560360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).