N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide

C19H18N2O2 — CID 155505202

IUPACN-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide
SMILESCN1Cc2cc(-c3ccc(C(=O)NC4CC4)cc3)ccc2C1=O
InChIInChI=1S/C19H18N2O2/c1-21-11-15-10-14(6-9-17(15)19(21)23)12-2-4-13(5-3-12)18(22)20-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,20,22)
InChIKeyZAIIPCNUDHXSMT-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.83
Rot. Bonds3

About N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide

N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide (PubChem CID 155505202) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide
PubChem CID155505202
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide
SMILESCN1Cc2cc(-c3ccc(C(=O)NC4CC4)cc3)ccc2C1=O
InChIInChI=1S/C19H18N2O2/c1-21-11-15-10-14(6-9-17(15)19(21)23)12-2-4-13(5-3-12)18(22)20-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,20,22)
InChIKeyZAIIPCNUDHXSMT-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
N-cyclopropyl-3-[2-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
CID 15986498
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
CID 15986953
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide
CID 145000099
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
CID 78767376
N-(4-aminocyclohexyl)-4-(3,4,5-trifluorophenyl)benzamide
CID 119479149
N-cyclopentyl-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 87054001
N-cyclopropyl-4-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320146

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide (CID 155505202) is N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide is CN1Cc2cc(-c3ccc(C(=O)NC4CC4)cc3)ccc2C1=O.
What is the InChIKey of N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide?
The InChIKey is ZAIIPCNUDHXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-21-11-15-10-14(6-9-17(15)19(21)23)12-2-4-13(5-3-12)18(22)20-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,20,22).
What are the key properties of N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide?
N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methyl-1-oxo-3H-isoindol-5-yl)benzamide is sourced from PubChem (CID 155505202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).