N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide

C17H15ClN2O — CID 2483199

IUPACN-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c18-14-7-5-12(6-8-14)10-20-17(21)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,11,19H,9-10H2,(H,20,21)
InChIKeyXVMHVQQEPLHFDF-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.68
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 2483199) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
PubChem CID2483199
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c18-14-7-5-12(6-8-14)10-20-17(21)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,11,19H,9-10H2,(H,20,21)
InChIKeyXVMHVQQEPLHFDF-UHFFFAOYSA-N
XLogP3.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide (CID 2483199) is N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is XVMHVQQEPLHFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-7-5-12(6-8-14)10-20-17(21)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,11,19H,9-10H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 298.77 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 2483199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).