N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide

C18H15N3O — CID 582713

IUPACN-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
SMILESN#CC(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O/c19-11-15(21-18(22)13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-16(14)17/h1-9,12,15,20H,10H2,(H,21,22)
InChIKeyRLHKBKZMBNDSLH-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.03
Rot. Bonds4

About N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide

N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 582713) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID582713
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
SMILESN#CC(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O/c19-11-15(21-18(22)13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-16(14)17/h1-9,12,15,20H,10H2,(H,21,22)
InChIKeyRLHKBKZMBNDSLH-UHFFFAOYSA-N
XLogP3.03
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[(2S)-1-[cyano(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 87849413
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 11748904
N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
CID 13101578
(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
CID 19003113
(2S)-2-(cyanoamino)-3-(1H-indol-3-yl)propanoic acid
CID 87366528
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4879415
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide (CID 582713) is N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide is N#CC(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is RLHKBKZMBNDSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-11-15(21-18(22)13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-16(14)17/h1-9,12,15,20H,10H2,(H,21,22).
What are the key properties of N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide?
N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 289.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 582713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).