N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide

C19H18N2O — CID 113084670

IUPACN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C19H18N2O/c22-18(14-6-2-1-3-7-14)21-13-19(10-11-19)16-12-20-17-9-5-4-8-15(16)17/h1-9,12,20H,10-11,13H2,(H,21,22)
InChIKeyFVXWYUSLJPHHPR-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.63
Rot. Bonds4

About N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide (PubChem CID 113084670) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
PubChem CID113084670
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C19H18N2O/c22-18(14-6-2-1-3-7-14)21-13-19(10-11-19)16-12-20-17-9-5-4-8-15(16)17/h1-9,12,20H,10-11,13H2,(H,21,22)
InChIKeyFVXWYUSLJPHHPR-UHFFFAOYSA-N
XLogP3.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113084707
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084702
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
CID 113084663
4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085038
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide
CID 113084830
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113084771
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445167
N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
CID 13101578

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide (CID 113084670) is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The canonical SMILES for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide is O=C(NCC1(c2c[nH]c3ccccc23)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The InChIKey is FVXWYUSLJPHHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-18(14-6-2-1-3-7-14)21-13-19(10-11-19)16-12-20-17-9-5-4-8-15(16)17/h1-9,12,20H,10-11,13H2,(H,21,22).
What are the key properties of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide?
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide has a molecular weight of 290.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113084670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).