2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide

C20H19ClN2O — CID 113084942

IUPAC2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
SMILESCn1cc(C2(CNC(=O)c3ccccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C20H19ClN2O/c1-23-12-16(14-6-3-5-9-18(14)23)20(10-11-20)13-22-19(24)15-7-2-4-8-17(15)21/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyYOTDERZNCDHYEO-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.29
Rot. Bonds4

About 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide

2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide (PubChem CID 113084942) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
PubChem CID113084942
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
SMILESCn1cc(C2(CNC(=O)c3ccccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C20H19ClN2O/c1-23-12-16(14-6-3-5-9-18(14)23)20(10-11-20)13-22-19(24)15-7-2-4-8-17(15)21/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyYOTDERZNCDHYEO-UHFFFAOYSA-N
XLogP4.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 3072916
3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084931
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113084958
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113084974
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide
CID 79037076
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 138998224
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide
CID 46975477

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide (CID 113084942) is 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide is Cn1cc(C2(CNC(=O)c3ccccc3Cl)CC2)c2ccccc21.
What is the InChIKey of 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide?
The InChIKey is YOTDERZNCDHYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-23-12-16(14-6-3-5-9-18(14)23)20(10-11-20)13-22-19(24)15-7-2-4-8-17(15)21/h2-9,12H,10-11,13H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide?
2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide has a molecular weight of 338.84 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113084942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).