N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide

C18H16ClF3N4O2 — CID 25098014

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2ccccn2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C18H16ClF3N4O2/c1-25-13(10-26(17(25)28)14-7-2-3-8-23-14)16(27)24-9-11-5-4-6-12(15(11)19)18(20,21)22/h2-8,13H,9-10H2,1H3,(H,24,27)
InChIKeyULORBJPPJQXQHF-UHFFFAOYSA-N
MW412.80 g/mol
LogP3.31
Rot. Bonds4

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide (PubChem CID 25098014) has the molecular formula C18H16ClF3N4O2 and a molecular weight of 412.80 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide
PubChem CID25098014
Molecular FormulaC18H16ClF3N4O2
Molecular Weight412.80 g/mol
Exact Mass412.09
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2ccccn2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C18H16ClF3N4O2/c1-25-13(10-26(17(25)28)14-7-2-3-8-23-14)16(27)24-9-11-5-4-6-12(15(11)19)18(20,21)22/h2-8,13H,9-10H2,1H3,(H,24,27)
InChIKeyULORBJPPJQXQHF-UHFFFAOYSA-N
XLogP3.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenyl)-2-(N-[2-[(2S)-1-(4-cyano-2-pyridinyl)-5-oxopyrrolidin-2-yl]acetyl]-3,5-difluoroanilino)-N-(3,3-difluorocyclobutyl)acetamide
CID 140267826
N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-3-methyl-2-oxo-1-(2-pyrimidinyl)-4-imidazolidinecarboxamide
CID 25097731
N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(4-(trifluoromethyl)pyridin-2-ylamino)propanamide
CID 45101490
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 117995615
1-[(3S)-1-(2-aminopyrimidin-4-yl)pyrrolidin-3-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 117996052
(2S)-2-(2-chlorophenyl)-2-(N-[2-[(2S)-1-(4-cyano-2-pyridinyl)-5-oxopyrrolidin-2-yl]acetyl]-3-fluoroanilino)-N-(3,3-difluorocyclobutyl)acetamide
CID 140267835
(2S)-2-(2-chlorophenyl)-2-[[2-[(2S)-1-(4-cyano-2-pyridinyl)-5-oxopyrrolidin-2-yl]acetyl]-(5-fluoro-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)acetamide
CID 145982246
[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 70794043
(2S)-N-[(2S)-1-[(2S)-2-(anilinomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73443116
example 131 [WO2009133348]
CID 44468926
Pentanedioic acid cyclopentylcarbamoylmethyl-(4-fluoro-benzyl)-amide pyridin-2-ylamide
CID 646044

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide (CID 25098014) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide is CN1C(=O)N(c2ccccn2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide?
The InChIKey is ULORBJPPJQXQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O2/c1-25-13(10-26(17(25)28)14-7-2-3-8-23-14)16(27)24-9-11-5-4-6-12(15(11)19)18(20,21)22/h2-8,13H,9-10H2,1H3,(H,24,27).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide has a molecular weight of 412.80 g/mol, XLogP of 3.31, 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-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-2-ylimidazolidine-4-carboxamide is sourced from PubChem (CID 25098014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).