4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide

C24H21N3O2 — CID 7335407

IUPAC4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c(=O)c2ccccc12
InChIInChI=1S/C24H21N3O2/c1-16(18-8-4-3-5-9-18)25-23(28)19-12-14-20(15-13-19)27-24(29)22-11-7-6-10-21(22)17(2)26-27/h3-16H,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyBLLUPSHKDUJHKZ-MRXNPFEDSA-N
MW383.45 g/mol
LogP4.19
Rot. Bonds4

About 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide

4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 7335407) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
PubChem CID7335407
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c(=O)c2ccccc12
InChIInChI=1S/C24H21N3O2/c1-16(18-8-4-3-5-9-18)25-23(28)19-12-14-20(15-13-19)27-24(29)22-11-7-6-10-21(22)17(2)26-27/h3-16H,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyBLLUPSHKDUJHKZ-MRXNPFEDSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760
4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869440
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9164757
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869424
2-(4-bromophenyl)-4-methylphthalazin-1-one
CID 755477
1-(4-fluorophenyl)-3-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 95053217
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915134

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide (CID 7335407) is 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide is Cc1nn(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c(=O)c2ccccc12.
What is the InChIKey of 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is BLLUPSHKDUJHKZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16(18-8-4-3-5-9-18)25-23(28)19-12-14-20(15-13-19)27-24(29)22-11-7-6-10-21(22)17(2)26-27/h3-16H,1-2H3,(H,25,28)/t16-/m1/s1.
What are the key properties of 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide?
4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 7335407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).