2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile

C17H14ClN3 — CID 84817781

IUPAC2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile
SMILESN#CC(NCc1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14ClN3/c18-15-7-3-1-5-12(15)10-20-17(9-19)14-11-21-16-8-4-2-6-13(14)16/h1-8,11,17,20-21H,10H2
InChIKeyLBRXCEBWINDJCE-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.18
Rot. Bonds4

About 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile

2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile (PubChem CID 84817781) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile
PubChem CID84817781
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile
SMILESN#CC(NCc1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14ClN3/c18-15-7-3-1-5-12(15)10-20-17(9-19)14-11-21-16-8-4-2-6-13(14)16/h1-8,11,17,20-21H,10H2
InChIKeyLBRXCEBWINDJCE-UHFFFAOYSA-N
XLogP4.18
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
CID 84816526
2-[[cyano(1H-indol-3-yl)methyl]amino]acetic acid
CID 84816490
2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile
CID 84817313
2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile
CID 84817476
2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile
CID 24885114
2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
2-[(2-chlorophenyl)methylamino]-3-methylbutanenitrile
CID 82127957
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
1H-indol-3-ylmethylcyanamide
CID 145401688
(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
CID 45101575
N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 73338848

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile (CID 84817781) is 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile is N#CC(NCc1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile?
The InChIKey is LBRXCEBWINDJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c18-15-7-3-1-5-12(15)10-20-17(9-19)14-11-21-16-8-4-2-6-13(14)16/h1-8,11,17,20-21H,10H2.
What are the key properties of 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile?
2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile has a molecular weight of 295.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 84817781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).