(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

C12H12ClF2N3O2 — CID 71452624

IUPAC(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NC[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIInChI=1S/C12H12ClF2N3O2/c1-18-8(5-17-12(18)20)11(19)16-4-6-2-3-7(14)10(15)9(6)13/h2-3,8H,4-5H2,1H3,(H,16,19)(H,17,20)/t8-/m0/s1
InChIKeyTZNQBXMMPSETQC-QMMMGPOBSA-N
MW303.70 g/mol
LogP1.26
Rot. Bonds3

About (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71452624) has the molecular formula C12H12ClF2N3O2 and a molecular weight of 303.70 g/mol. Its IUPAC name is (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71452624
Molecular FormulaC12H12ClF2N3O2
Molecular Weight303.70 g/mol
Exact Mass303.06
IUPAC Name(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NC[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIInChI=1S/C12H12ClF2N3O2/c1-18-8(5-17-12(18)20)11(19)16-4-6-2-3-7(14)10(15)9(6)13/h2-3,8H,4-5H2,1H3,(H,16,19)(H,17,20)/t8-/m0/s1
InChIKeyTZNQBXMMPSETQC-QMMMGPOBSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(2-chloro-3,4-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 71459843
(2S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67462741
N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 25095700
(3S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 71459863
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide
CID 71461565
N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 89230142
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71463306
N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133050
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
N-[[2-(aminomethyl)-4-chlorophenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 151232699
1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide
CID 42641366
N-[(2,3-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303311

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 71452624) is (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)NC[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl.
What is the InChIKey of (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is TZNQBXMMPSETQC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12ClF2N3O2/c1-18-8(5-17-12(18)20)11(19)16-4-6-2-3-7(14)10(15)9(6)13/h2-3,8H,4-5H2,1H3,(H,16,19)(H,17,20)/t8-/m0/s1.
What are the key properties of (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 303.70 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71452624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).