N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide

C19H17F2N3O3 — CID 52606481

IUPACN-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H17F2N3O3/c1-12(13-6-4-7-15(9-13)27-19(20)21)23-17(25)11-24-18(26)16-8-3-2-5-14(16)10-22-24/h2-10,12,19H,11H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyYDEPLJOYMFVPJE-GFCCVEGCSA-N
MW373.36 g/mol
LogP2.88
Rot. Bonds6

About N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 52606481) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID52606481
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC NameN-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H17F2N3O3/c1-12(13-6-4-7-15(9-13)27-19(20)21)23-17(25)11-24-18(26)16-8-3-2-5-14(16)10-22-24/h2-10,12,19H,11H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyYDEPLJOYMFVPJE-GFCCVEGCSA-N
XLogP2.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
1-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2224766
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
CID 53368322
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 93242311
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55710560
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55574790
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55592695
2-(1-oxophthalazin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46569616

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 52606481) is N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide is C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is YDEPLJOYMFVPJE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-12(13-6-4-7-15(9-13)27-19(20)21)23-17(25)11-24-18(26)16-8-3-2-5-14(16)10-22-24/h2-10,12,19H,11H2,1H3,(H,23,25)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 373.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 52606481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).