N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide

C18H17F2N3O2 — CID 51299247

IUPACN-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O2/c1-11(13-4-7-15(19)16(20)10-13)22-17(24)12-2-5-14(6-3-12)23-9-8-21-18(23)25/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyXURBMSICZNCWPO-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide

N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 51299247) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID51299247
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O2/c1-11(13-4-7-15(19)16(20)10-13)22-17(24)12-2-5-14(6-3-12)23-9-8-21-18(23)25/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyXURBMSICZNCWPO-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51298991
N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 56705120
(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119360751
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 166408163
(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
CID 119362177
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55790801
1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 24532068
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 41176986

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide (CID 51299247) is N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide is CC(NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is XURBMSICZNCWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-11(13-4-7-15(19)16(20)10-13)22-17(24)12-2-5-14(6-3-12)23-9-8-21-18(23)25/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 345.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 51299247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).