N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide

C18H17ClF2N4O2 — CID 25095700

IUPACN-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccc(F)c(F)c3Cl)N(C)C2=O)cn1
InChIInChI=1S/C18H17ClF2N4O2/c1-10-3-5-12(8-22-10)25-9-14(24(2)18(25)27)17(26)23-7-11-4-6-13(20)16(21)15(11)19/h3-6,8,14H,7,9H2,1-2H3,(H,23,26)
InChIKeyJIKJEQSHEJYJGT-UHFFFAOYSA-N
MW394.81 g/mol
LogP2.88
Rot. Bonds4

About N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide

N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 25095700) has the molecular formula C18H17ClF2N4O2 and a molecular weight of 394.81 g/mol. Its IUPAC name is N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID25095700
Molecular FormulaC18H17ClF2N4O2
Molecular Weight394.81 g/mol
Exact Mass394.10
IUPAC NameN-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccc(F)c(F)c3Cl)N(C)C2=O)cn1
InChIInChI=1S/C18H17ClF2N4O2/c1-10-3-5-12(8-22-10)25-9-14(24(2)18(25)27)17(26)23-7-11-4-6-13(20)16(21)15(11)19/h3-6,8,14H,7,9H2,1-2H3,(H,23,26)
InChIKeyJIKJEQSHEJYJGT-UHFFFAOYSA-N
XLogP2.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71452624
N-[(2,4-dichlorophenyl)methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25094619
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 71461570
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71459840
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25094618
(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-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 25096712
(3S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 71459863
(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71463313
N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
CID 25094350
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71463306

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide (CID 25095700) is N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide is Cc1ccc(N2CC(C(=O)NCc3ccc(F)c(F)c3Cl)N(C)C2=O)cn1.
What is the InChIKey of N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is JIKJEQSHEJYJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O2/c1-10-3-5-12(8-22-10)25-9-14(24(2)18(25)27)17(26)23-7-11-4-6-13(20)16(21)15(11)19/h3-6,8,14H,7,9H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide?
N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 394.81 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 25095700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).