N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

C19H20F3N3O3 — CID 38402714

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccc(OC(F)F)cc1)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H20F3N3O3/c1-25(12-18(27)24-15-4-2-3-14(20)9-15)11-17(26)23-10-13-5-7-16(8-6-13)28-19(21)22/h2-9,19H,10-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyWRQOERBOGHXKGY-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.61
Rot. Bonds9

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 38402714) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID38402714
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccc(OC(F)F)cc1)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H20F3N3O3/c1-25(12-18(27)24-15-4-2-3-14(20)9-15)11-17(26)23-10-13-5-7-16(8-6-13)28-19(21)22/h2-9,19H,10-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyWRQOERBOGHXKGY-UHFFFAOYSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 8847181
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-[2-(4-chlorophenyl)ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250787

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (CID 38402714) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NCc1ccc(OC(F)F)cc1)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is WRQOERBOGHXKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-25(12-18(27)24-15-4-2-3-14(20)9-15)11-17(26)23-10-13-5-7-16(8-6-13)28-19(21)22/h2-9,19H,10-12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 395.38 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 38402714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).