N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide

C18H15ClF3N3O3 — CID 55699288

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H15ClF3N3O3/c19-12-4-5-15(28-10-18(20,21)22)14(9-12)24-16(26)11-2-1-3-13(8-11)25-7-6-23-17(25)27/h1-5,8-9H,6-7,10H2,(H,23,27)(H,24,26)
InChIKeyUKJFLBPJDWCDDH-UHFFFAOYSA-N
MW413.78 g/mol
LogP4.06
Rot. Bonds5

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 55699288) has the molecular formula C18H15ClF3N3O3 and a molecular weight of 413.78 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID55699288
Molecular FormulaC18H15ClF3N3O3
Molecular Weight413.78 g/mol
Exact Mass413.08
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H15ClF3N3O3/c19-12-4-5-15(28-10-18(20,21)22)14(9-12)24-16(26)11-2-1-3-13(8-11)25-7-6-23-17(25)27/h1-5,8-9H,6-7,10H2,(H,23,27)(H,24,26)
InChIKeyUKJFLBPJDWCDDH-UHFFFAOYSA-N
XLogP4.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.78
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 37175840
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 134027334
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 30473938
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759004
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 37176133
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
CID 134027238
3-(2-oxoimidazolidin-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 55791645

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 55699288) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide is O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is UKJFLBPJDWCDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O3/c19-12-4-5-15(28-10-18(20,21)22)14(9-12)24-16(26)11-2-1-3-13(8-11)25-7-6-23-17(25)27/h1-5,8-9H,6-7,10H2,(H,23,27)(H,24,26).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 413.78 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55699288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).