2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide

C16H13ClN2O — CID 818740

IUPAC2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide
SMILESO=C(CCl)N(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13ClN2O/c17-10-16(20)19(12-6-2-1-3-7-12)15-11-18-14-9-5-4-8-13(14)15/h1-9,11,18H,10H2
InChIKeyRUDVYHQSPGKLTL-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.07
Rot. Bonds3

About 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide

2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide (PubChem CID 818740) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide
PubChem CID818740
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide
SMILESO=C(CCl)N(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13ClN2O/c17-10-16(20)19(12-6-2-1-3-7-12)15-11-18-14-9-5-4-8-13(14)15/h1-9,11,18H,10H2
InChIKeyRUDVYHQSPGKLTL-UHFFFAOYSA-N
XLogP4.07
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide?
The IUPAC name of 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide (CID 818740) is 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide is O=C(CCl)N(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide?
The InChIKey is RUDVYHQSPGKLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-10-16(20)19(12-6-2-1-3-7-12)15-11-18-14-9-5-4-8-13(14)15/h1-9,11,18H,10H2.
What are the key properties of 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide?
2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide has a molecular weight of 284.75 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 818740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).