N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide

C20H21N3O2 — CID 166239486

IUPACN-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)Nc2ccc3c(c2)CNC3)oc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-23(2)12-17-16-5-3-4-6-18(16)25-19(17)20(24)22-15-8-7-13-10-21-11-14(13)9-15/h3-9,21H,10-12H2,1-2H3,(H,22,24)
InChIKeyMHNAEKHOFCZVGC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.35
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide

N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide (PubChem CID 166239486) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide
PubChem CID166239486
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)Nc2ccc3c(c2)CNC3)oc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-23(2)12-17-16-5-3-4-6-18(16)25-19(17)20(24)22-15-8-7-13-10-21-11-14(13)9-15/h3-9,21H,10-12H2,1-2H3,(H,22,24)
InChIKeyMHNAEKHOFCZVGC-UHFFFAOYSA-N
XLogP3.35
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-1-benzofuran-2-carboxamide
CID 86950120
3-[(dimethylamino)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120948162
3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 71990798
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120605130
ethyl N-[6-[[3-[(dimethylamino)methyl]-1-benzofuran-2-carbonyl]amino]-1,3-benzothiazol-2-yl]carbamate
CID 86950156
3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
CID 119427274
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
CID 119462752
3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153429
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 95932852
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 49170375
N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 8920919

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide (CID 166239486) is N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide is CN(C)Cc1c(C(=O)Nc2ccc3c(c2)CNC3)oc2ccccc12.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MHNAEKHOFCZVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23(2)12-17-16-5-3-4-6-18(16)25-19(17)20(24)22-15-8-7-13-10-21-11-14(13)9-15/h3-9,21H,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide?
N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166239486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).