N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide

C21H22F2N4O3 — CID 68792712

IUPACN-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(CC)C2=O)c1
InChIInChI=1S/C21H22F2N4O3/c1-3-17(28)25-15-7-5-6-14(12-15)21(18(29)27(4-2)20(24)26-21)13-8-10-16(11-9-13)30-19(22)23/h5-12,19H,3-4H2,1-2H3,(H2,24,26)(H,25,28)
InChIKeyKFVKJJLZBQBUPC-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.06
Rot. Bonds7

About N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide

N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide (PubChem CID 68792712) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide
PubChem CID68792712
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC NameN-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(CC)C2=O)c1
InChIInChI=1S/C21H22F2N4O3/c1-3-17(28)25-15-7-5-6-14(12-15)21(18(29)27(4-2)20(24)26-21)13-8-10-16(11-9-13)30-19(22)23/h5-12,19H,3-4H2,1-2H3,(H2,24,26)(H,25,28)
InChIKeyKFVKJJLZBQBUPC-UHFFFAOYSA-N
XLogP3.06
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide
CID 25124636
N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide
CID 70822475
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7264849
2-amino-5-[4-(difluoromethoxy)phenyl]-5-(3-hydroxyphenyl)-3-methylimidazol-4-one;1-[4-(difluoromethoxy)phenyl]-2-(3-hydroxyphenyl)ethane-1,2-dione
CID 159895842
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-hydroxybutyl)phenyl]-3-methylimidazol-4-one
CID 67565324
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-fluoroprop-1-ynyl)phenyl]-3-methylimidazol-4-one
CID 52944411
2-amino-5-[3-[(E)-2-cyclopropyl-1-fluoroethenyl]phenyl]-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one
CID 25196989
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-[(E)-4-fluorobut-1-enyl]phenyl]-3-methylimidazol-4-one
CID 52940974
2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-methylphenyl)imidazol-4-one;2-methylguanidine;hydrochloride
CID 158457531
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3-methylbut-3-enoxy)phenyl]imidazol-4-one
CID 25127296
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(4-ethoxybutan-2-yl)phenyl]-3-methylimidazol-4-one
CID 25123320
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2108493

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide?
The IUPAC name of N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide (CID 68792712) is N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide is CCC(=O)Nc1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(CC)C2=O)c1.
What is the InChIKey of N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide?
The InChIKey is KFVKJJLZBQBUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-3-17(28)25-15-7-5-6-14(12-15)21(18(29)27(4-2)20(24)26-21)13-8-10-16(11-9-13)30-19(22)23/h5-12,19H,3-4H2,1-2H3,(H2,24,26)(H,25,28).
What are the key properties of N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide?
N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide has a molecular weight of 416.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 68792712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).