N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C15H15ClFN3O3 — CID 146124222

IUPACN-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1(NC(=O)C2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1
InChIInChI=1S/C15H15ClFN3O3/c16-10-2-1-9(6-11(10)17)20-7-8(5-12(20)21)13(22)19-15(3-4-15)14(18)23/h1-2,6,8H,3-5,7H2,(H2,18,23)(H,19,22)
InChIKeyKRLAGOGRQWMVTO-UHFFFAOYSA-N
MW339.75 g/mol
LogP0.97
Rot. Bonds4

About N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 146124222) has the molecular formula C15H15ClFN3O3 and a molecular weight of 339.75 g/mol. Its IUPAC name is N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID146124222
Molecular FormulaC15H15ClFN3O3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC NameN-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1(NC(=O)C2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1
InChIInChI=1S/C15H15ClFN3O3/c16-10-2-1-9(6-11(10)17)20-7-8(5-12(20)21)13(22)19-15(3-4-15)14(18)23/h1-2,6,8H,3-5,7H2,(H2,18,23)(H,19,22)
InChIKeyKRLAGOGRQWMVTO-UHFFFAOYSA-N
XLogP0.97
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chloro-3-fluorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 124591586
(2S)-2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 120525907
4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 120534750
7-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 120524006
1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95578629
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 167953080
1-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700111
1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700448
1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873905
2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 120520365
(3S)-1-(3-chloro-4-fluorophenyl)-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
CID 125126376

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 146124222) is N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1(NC(=O)C2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1.
What is the InChIKey of N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KRLAGOGRQWMVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3/c16-10-2-1-9(6-11(10)17)20-7-8(5-12(20)21)13(22)19-15(3-4-15)14(18)23/h1-2,6,8H,3-5,7H2,(H2,18,23)(H,19,22).
What are the key properties of N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 339.75 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 146124222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).