N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide

C17H15ClN2O — CID 155606462

IUPACN-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide
SMILESO=C(CCl)N(Cc1ccccc1)c1ccc2c(c1)N=CC2
InChIInChI=1S/C17H15ClN2O/c18-11-17(21)20(12-13-4-2-1-3-5-13)15-7-6-14-8-9-19-16(14)10-15/h1-7,9-10H,8,11-12H2
InChIKeyHVXRFLJBDJGSKD-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.72
Rot. Bonds4

About N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide

N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide (PubChem CID 155606462) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide
PubChem CID155606462
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide
SMILESO=C(CCl)N(Cc1ccccc1)c1ccc2c(c1)N=CC2
InChIInChI=1S/C17H15ClN2O/c18-11-17(21)20(12-13-4-2-1-3-5-13)15-7-6-14-8-9-19-16(14)10-15/h1-7,9-10H,8,11-12H2
InChIKeyHVXRFLJBDJGSKD-UHFFFAOYSA-N
XLogP3.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
CID 39443934
N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
CID 39443973
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659
CID 174062661
CID 174062661
4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide
CID 171441081
1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea
CID 53440487
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419
N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53416837
2-chloro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39442898

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide?
The IUPAC name of N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide (CID 155606462) is N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide?
The canonical SMILES for N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide is O=C(CCl)N(Cc1ccccc1)c1ccc2c(c1)N=CC2.
What is the InChIKey of N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide?
The InChIKey is HVXRFLJBDJGSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-11-17(21)20(12-13-4-2-1-3-5-13)15-7-6-14-8-9-19-16(14)10-15/h1-7,9-10H,8,11-12H2.
What are the key properties of N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide?
N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide has a molecular weight of 298.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(3H-indol-6-yl)acetamide is sourced from PubChem (CID 155606462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).