4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide

C12H11ClN2O — CID 110848091

IUPAC4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide
SMILESC=CCNC(=O)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H11ClN2O/c1-2-6-14-12(16)11-7-8-9(13)4-3-5-10(8)15-11/h2-5,7,15H,1,6H2,(H,14,16)
InChIKeyUIAVIBMVDCTFQX-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide

4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide (PubChem CID 110848091) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide
PubChem CID110848091
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide
SMILESC=CCNC(=O)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H11ClN2O/c1-2-6-14-12(16)11-7-8-9(13)4-3-5-10(8)15-11/h2-5,7,15H,1,6H2,(H,14,16)
InChIKeyUIAVIBMVDCTFQX-UHFFFAOYSA-N
XLogP2.74
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide (CID 110848091) is 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide is C=CCNC(=O)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide?
The InChIKey is UIAVIBMVDCTFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-2-6-14-12(16)11-7-8-9(13)4-3-5-10(8)15-11/h2-5,7,15H,1,6H2,(H,14,16).
What are the key properties of 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide?
4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide has a molecular weight of 234.69 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide is sourced from PubChem (CID 110848091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).