N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide

C19H18F2N4O4 — CID 70822475

IUPACN-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc([C@]2(c3ccc(OC(F)F)cc3)N=C(N)NC2=O)c1
InChIInChI=1S/C19H18F2N4O4/c1-28-10-15(26)23-13-4-2-3-12(9-13)19(16(27)24-18(22)25-19)11-5-7-14(8-6-11)29-17(20)21/h2-9,17H,10H2,1H3,(H,23,26)(H3,22,24,25,27)/t19-/m0/s1
InChIKeyJAPIKKJOLUCSPW-IBGZPJMESA-N
MW404.37 g/mol
LogP1.56
Rot. Bonds7

About N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide

N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide (PubChem CID 70822475) has the molecular formula C19H18F2N4O4 and a molecular weight of 404.37 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide
PubChem CID70822475
Molecular FormulaC19H18F2N4O4
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC NameN-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc([C@]2(c3ccc(OC(F)F)cc3)N=C(N)NC2=O)c1
InChIInChI=1S/C19H18F2N4O4/c1-28-10-15(26)23-13-4-2-3-12(9-13)19(16(27)24-18(22)25-19)11-5-7-14(8-6-11)29-17(20)21/h2-9,17H,10H2,1H3,(H,23,26)(H3,22,24,25,27)/t19-/m0/s1
InChIKeyJAPIKKJOLUCSPW-IBGZPJMESA-N
XLogP1.56
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide
CID 68792712
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CID 89001431
N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide
CID 59790309
N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2,2,2-trichloroacetamide
CID 25124636
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide
CID 6991484
[2-(3-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612551
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7264849
N-[4-(difluoromethoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 2323436
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
[2-(3-ethylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996427
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-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide (CID 70822475) is N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc([C@]2(c3ccc(OC(F)F)cc3)N=C(N)NC2=O)c1.
What is the InChIKey of N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide?
The InChIKey is JAPIKKJOLUCSPW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18F2N4O4/c1-28-10-15(26)23-13-4-2-3-12(9-13)19(16(27)24-18(22)25-19)11-5-7-14(8-6-11)29-17(20)21/h2-9,17H,10H2,1H3,(H,23,26)(H3,22,24,25,27)/t19-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide?
N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide has a molecular weight of 404.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 70822475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).