(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C13H14F3N3O3 — CID 97063377

IUPAC(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CNC(=O)N2)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O3/c1-22-8-3-2-7(9(4-8)13(14,15)16)5-17-11(20)10-6-18-12(21)19-10/h2-4,10H,5-6H2,1H3,(H,17,20)(H2,18,19,21)/t10-/m1/s1
InChIKeySLLIHDDLKBVYHQ-SNVBAGLBSA-N
MW317.27 g/mol
LogP1.01
Rot. Bonds4

About (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97063377) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97063377
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CNC(=O)N2)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O3/c1-22-8-3-2-7(9(4-8)13(14,15)16)5-17-11(20)10-6-18-12(21)19-10/h2-4,10H,5-6H2,1H3,(H,17,20)(H2,18,19,21)/t10-/m1/s1
InChIKeySLLIHDDLKBVYHQ-SNVBAGLBSA-N
XLogP1.01
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119767143
1-butanoyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 137362374
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817
4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 167837881
N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315072
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 57250366
1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95323347
1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]urea
CID 97321321
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 163867885
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
(2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979038
N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide
CID 138562720

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 97063377) is (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is COc1ccc(CNC(=O)[C@H]2CNC(=O)N2)c(C(F)(F)F)c1.
What is the InChIKey of (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is SLLIHDDLKBVYHQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-22-8-3-2-7(9(4-8)13(14,15)16)5-17-11(20)10-6-18-12(21)19-10/h2-4,10H,5-6H2,1H3,(H,17,20)(H2,18,19,21)/t10-/m1/s1.
What are the key properties of (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97063377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).