1-(4-chlorobenzoyl)indole-3-carboxamide

C16H11ClN2O2 — CID 91690434

IUPAC1-(4-chlorobenzoyl)indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H11ClN2O2/c17-11-7-5-10(6-8-11)16(21)19-9-13(15(18)20)12-3-1-2-4-14(12)19/h1-9H,(H2,18,20)
InChIKeyQHJBBVYYEPBMKR-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.08
Rot. Bonds2

About 1-(4-chlorobenzoyl)indole-3-carboxamide

1-(4-chlorobenzoyl)indole-3-carboxamide (PubChem CID 91690434) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)indole-3-carboxamide
PubChem CID91690434
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name1-(4-chlorobenzoyl)indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H11ClN2O2/c17-11-7-5-10(6-8-11)16(21)19-9-13(15(18)20)12-3-1-2-4-14(12)19/h1-9H,(H2,18,20)
InChIKeyQHJBBVYYEPBMKR-UHFFFAOYSA-N
XLogP3.08
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)indole-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)indole-3-carboxamide (CID 91690434) is 1-(4-chlorobenzoyl)indole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)indole-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)indole-3-carboxamide is NC(=O)c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-(4-chlorobenzoyl)indole-3-carboxamide?
The InChIKey is QHJBBVYYEPBMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-11-7-5-10(6-8-11)16(21)19-9-13(15(18)20)12-3-1-2-4-14(12)19/h1-9H,(H2,18,20).
What are the key properties of 1-(4-chlorobenzoyl)indole-3-carboxamide?
1-(4-chlorobenzoyl)indole-3-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)indole-3-carboxamide is sourced from PubChem (CID 91690434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).