N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide

C23H17ClN2O3 — CID 1318497

IUPACN-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H17ClN2O3/c1-14-6-2-3-7-17(14)21(27)25-16-10-11-20(24)15(12-16)13-26-22(28)18-8-4-5-9-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyDEAVGVMZJQGFAC-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.70
Rot. Bonds4

About N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide

N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide (PubChem CID 1318497) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide
PubChem CID1318497
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC NameN-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H17ClN2O3/c1-14-6-2-3-7-17(14)21(27)25-16-10-11-20(24)15(12-16)13-26-22(28)18-8-4-5-9-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)
InChIKeyDEAVGVMZJQGFAC-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-methylbenzamide
CID 19631146
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide
CID 1335673
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
CID 142567433
N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]-2-methylbenzamide
CID 3536498
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 142452689
N-[3-chloro-4-(5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 19608146
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906483

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide (CID 1318497) is N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide?
The InChIKey is DEAVGVMZJQGFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-14-6-2-3-7-17(14)21(27)25-16-10-11-20(24)15(12-16)13-26-22(28)18-8-4-5-9-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide?
N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide has a molecular weight of 404.85 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 1318497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).