N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide

C18H18N2O — CID 110461592

IUPACN-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CN(C1CC1)C2)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(13-4-2-1-3-5-13)19-16-7-6-14-11-20(17-8-9-17)12-15(14)10-16/h1-7,10,17H,8-9,11-12H2,(H,19,21)
InChIKeyFLVFCXFMWRPXKH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.42
Rot. Bonds3

About N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide

N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide (PubChem CID 110461592) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide
PubChem CID110461592
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CN(C1CC1)C2)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(13-4-2-1-3-5-13)19-16-7-6-14-11-20(17-8-9-17)12-15(14)10-16/h1-7,10,17H,8-9,11-12H2,(H,19,21)
InChIKeyFLVFCXFMWRPXKH-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292
3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110461021
N-[2-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 25298907
N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide
CID 110460533
3-[(2-ethyl-1,3-dihydroisoindole-5-carbonyl)amino]benzoic acid
CID 84613942
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
N-(2-methyl-1,3-dihydroisoindol-5-yl)-4-(1-phenylethylcarbamoylamino)benzamide
CID 130447144
3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide
CID 69182070
N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide
CID 177442196
3-(5-benzamido-3-oxo-1H-isoindol-2-yl)propanoic acid
CID 131866548
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 161146408

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide?
The IUPAC name of N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide (CID 110461592) is N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide is O=C(Nc1ccc2c(c1)CN(C1CC1)C2)c1ccccc1.
What is the InChIKey of N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide?
The InChIKey is FLVFCXFMWRPXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(13-4-2-1-3-5-13)19-16-7-6-14-11-20(17-8-9-17)12-15(14)10-16/h1-7,10,17H,8-9,11-12H2,(H,19,21).
What are the key properties of N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide?
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide has a molecular weight of 278.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide is sourced from PubChem (CID 110461592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).