N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C20H19BrFN3O2 — CID 55594340

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H19BrFN3O2/c1-3-25(12-13-10-14(21)8-9-17(13)22)19(26)11-18-15-6-4-5-7-16(15)20(27)24(2)23-18/h4-10H,3,11-12H2,1-2H3
InChIKeyIKHQTLHDZPEGFH-UHFFFAOYSA-N
MW432.29 g/mol
LogP3.43
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 55594340) has the molecular formula C20H19BrFN3O2 and a molecular weight of 432.29 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID55594340
Molecular FormulaC20H19BrFN3O2
Molecular Weight432.29 g/mol
Exact Mass431.06
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H19BrFN3O2/c1-3-25(12-13-10-14(21)8-9-17(13)22)19(26)11-18-15-6-4-5-7-16(15)20(27)24(2)23-18/h4-10H,3,11-12H2,1-2H3
InChIKeyIKHQTLHDZPEGFH-UHFFFAOYSA-N
XLogP3.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 5077744
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55594454
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761321
N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide
CID 55632337
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 112821940
N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 47113059
N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide
CID 120886672
2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
CID 119136397
1-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylacetamide
CID 55586469
4-ethyl-2-methylphthalazin-1-one
CID 58923354
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-oxidopyridin-1-ium-2-carboxamide
CID 60506604

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 55594340) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CCN(Cc1cc(Br)ccc1F)C(=O)Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is IKHQTLHDZPEGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O2/c1-3-25(12-13-10-14(21)8-9-17(13)22)19(26)11-18-15-6-4-5-7-16(15)20(27)24(2)23-18/h4-10H,3,11-12H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 432.29 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 55594340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).