N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide

C19H23F2N3O3 — CID 175517227

IUPACN-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc(C=CC2CCC(F)(F)CC2)cc1NC(=O)C1CNC(=O)N1
InChIInChI=1S/C19H23F2N3O3/c1-27-16-5-4-13(3-2-12-6-8-19(20,21)9-7-12)10-14(16)23-17(25)15-11-22-18(26)24-15/h2-5,10,12,15H,6-9,11H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyMEMSNYVUZNERRW-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.15
Rot. Bonds5

About N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide

N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 175517227) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID175517227
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC NameN-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc(C=CC2CCC(F)(F)CC2)cc1NC(=O)C1CNC(=O)N1
InChIInChI=1S/C19H23F2N3O3/c1-27-16-5-4-13(3-2-12-6-8-19(20,21)9-7-12)10-14(16)23-17(25)15-11-22-18(26)24-15/h2-5,10,12,15H,6-9,11H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyMEMSNYVUZNERRW-UHFFFAOYSA-N
XLogP3.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 175517211
1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide
CID 90290240
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877790
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43707822
(4S)-N-[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 97088240
N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 166073714
(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063377
N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
CID 110696823
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide
CID 63102179
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-sulfanylidenepyrrolidine-2-carboxamide
CID 166073849

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide (CID 175517227) is N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide is COc1ccc(C=CC2CCC(F)(F)CC2)cc1NC(=O)C1CNC(=O)N1.
What is the InChIKey of N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is MEMSNYVUZNERRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-27-16-5-4-13(3-2-12-6-8-19(20,21)9-7-12)10-14(16)23-17(25)15-11-22-18(26)24-15/h2-5,10,12,15H,6-9,11H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide?
N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4,4-difluorocyclohexyl)ethenyl]-2-methoxyphenyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 175517227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).