N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide

C18H16ClN3O2 — CID 7944572

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11(12-6-5-7-13(19)10-12)20-17(23)16-14-8-3-4-9-15(14)18(24)22(2)21-16/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyBGCXOEDKSPPYAH-LLVKDONJSA-N
MW341.80 g/mol
LogP3.08
Rot. Bonds3

About N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 7944572) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID7944572
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11(12-6-5-7-13(19)10-12)20-17(23)16-14-8-3-4-9-15(14)18(24)22(2)21-16/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyBGCXOEDKSPPYAH-LLVKDONJSA-N
XLogP3.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9164757
3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
CID 7948827
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18143477
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55658973
3-methyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxophthalazine-1-carboxamide
CID 7719211
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9109111
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9481891
4-oxo-3-propan-2-yl-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide
CID 46470773
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 7944572) is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide is C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is BGCXOEDKSPPYAH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11(12-6-5-7-13(19)10-12)20-17(23)16-14-8-3-4-9-15(14)18(24)22(2)21-16/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 7944572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).