N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide

C16H14ClN3O — CID 43134811

IUPACN-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
SMILESNc1cc(NC(=O)Cn2ccc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClN3O/c17-13-6-5-12(9-14(13)18)19-16(21)10-20-8-7-11-3-1-2-4-15(11)20/h1-9H,10,18H2,(H,19,21)
InChIKeyOTEBDMVJTOGQPL-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.52
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide

N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide (PubChem CID 43134811) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
PubChem CID43134811
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
SMILESNc1cc(NC(=O)Cn2ccc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClN3O/c17-13-6-5-12(9-14(13)18)19-16(21)10-20-8-7-11-3-1-2-4-15(11)20/h1-9H,10,18H2,(H,19,21)
InChIKeyOTEBDMVJTOGQPL-UHFFFAOYSA-N
XLogP3.52
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650291
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
CID 4058006
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095
N-(2-amino-5-fluorophenyl)-2-indol-1-ylacetamide
CID 43611958
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
CID 43376298
N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
CID 43247265
2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide
CID 114935940
butyl 4-[(2-indol-1-ylacetyl)amino]benzoate
CID 4606579
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
CID 28866941

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide (CID 43134811) is N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide is Nc1cc(NC(=O)Cn2ccc3ccccc32)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide?
The InChIKey is OTEBDMVJTOGQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-6-5-12(9-14(13)18)19-16(21)10-20-8-7-11-3-1-2-4-15(11)20/h1-9H,10,18H2,(H,19,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide?
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide has a molecular weight of 299.76 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide is sourced from PubChem (CID 43134811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).