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

C18H17ClN2O — CID 54776329

IUPAC2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)
InChIKeyWOPCNVPWTMPVBF-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.10
Rot. Bonds4

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

2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 54776329) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID54776329
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)
InChIKeyWOPCNVPWTMPVBF-UHFFFAOYSA-N
XLogP4.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795628
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 112529696

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (CID 54776329) is 2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is WOPCNVPWTMPVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 312.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 54776329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).