2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide

C20H20ClN3O3 — CID 166280535

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide
SMILESCn1nc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H20ClN3O3/c1-20(2,27-14-10-8-13(21)9-11-14)19(26)22-12-17-15-6-4-5-7-16(15)18(25)24(3)23-17/h4-11H,12H2,1-3H3,(H,22,26)
InChIKeyRVVSCDSHBIMMBM-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide (PubChem CID 166280535) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide
PubChem CID166280535
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide
SMILESCn1nc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H20ClN3O3/c1-20(2,27-14-10-8-13(21)9-11-14)19(26)22-12-17-15-6-4-5-7-16(15)18(25)24(3)23-17/h4-11H,12H2,1-3H3,(H,22,26)
InChIKeyRVVSCDSHBIMMBM-UHFFFAOYSA-N
XLogP3.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide
CID 121049255
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 171673968
2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
CID 71797324
2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropanamide
CID 8917158
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 90489974
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90489843
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide (CID 166280535) is 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide is Cn1nc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide?
The InChIKey is RVVSCDSHBIMMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-20(2,27-14-10-8-13(21)9-11-14)19(26)22-12-17-15-6-4-5-7-16(15)18(25)24(3)23-17/h4-11H,12H2,1-3H3,(H,22,26).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide has a molecular weight of 385.85 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide is sourced from PubChem (CID 166280535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).