N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

C22H23N3O2 — CID 1290998

IUPACN-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCn1nc(-c2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-25-22(27)19-10-6-5-9-18(19)20(24-25)15-11-13-16(14-12-15)21(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26)
InChIKeyWCCJJZDAXPDVHP-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds3

About N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (PubChem CID 1290998) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
PubChem CID1290998
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCn1nc(-c2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-25-22(27)19-10-6-5-9-18(19)20(24-25)15-11-13-16(14-12-15)21(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26)
InChIKeyWCCJJZDAXPDVHP-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one
CID 11726399
(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
Talastine
CID 65624
4-({3-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133630
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
4-{4-[4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]butyl}-1,2-dihydrophthalazin-1-one
CID 25218517
2-Methyl-4-(phenylmethyl)phthalazin-1-one
CID 619552
Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
CID 738018
(2-Fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2952491

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The IUPAC name of N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (CID 1290998) is N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is Cn1nc(-c2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc2c1=O.
What is the InChIKey of N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The InChIKey is WCCJJZDAXPDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25-22(27)19-10-6-5-9-18(19)20(24-25)15-11-13-16(14-12-15)21(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26).
What are the key properties of N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is sourced from PubChem (CID 1290998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).