N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide

C18H17Cl2N3O — CID 109002406

IUPACN-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O/c19-13-7-14(20)9-15(8-13)23-18(24)11-21-6-5-12-10-22-17-4-2-1-3-16(12)17/h1-4,7-10,21-22H,5-6,11H2,(H,23,24)
InChIKeySTMAKXGKKDYRGC-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.25
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide

N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide (PubChem CID 109002406) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
PubChem CID109002406
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC NameN-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O/c19-13-7-14(20)9-15(8-13)23-18(24)11-21-6-5-12-10-22-17-4-2-1-3-16(12)17/h1-4,7-10,21-22H,5-6,11H2,(H,23,24)
InChIKeySTMAKXGKKDYRGC-UHFFFAOYSA-N
XLogP4.25
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50977958
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide (CID 109002406) is N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide is O=C(CNCCc1c[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The InChIKey is STMAKXGKKDYRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c19-13-7-14(20)9-15(8-13)23-18(24)11-21-6-5-12-10-22-17-4-2-1-3-16(12)17/h1-4,7-10,21-22H,5-6,11H2,(H,23,24).
What are the key properties of N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide has a molecular weight of 362.26 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 109002406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).