1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide

C19H17ClN2O — CID 175076965

IUPAC1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
SMILESO=C(NC1CC1)c1cccc2ccn(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C19H17ClN2O/c20-15-6-4-13(5-7-15)12-22-11-10-14-2-1-3-17(18(14)22)19(23)21-16-8-9-16/h1-7,10-11,16H,8-9,12H2,(H,21,23)
InChIKeyXLKJOTWSNSPTJQ-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.24
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide

1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide (PubChem CID 175076965) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
PubChem CID175076965
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
SMILESO=C(NC1CC1)c1cccc2ccn(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C19H17ClN2O/c20-15-6-4-13(5-7-15)12-22-11-10-14-2-1-3-17(18(14)22)19(23)21-16-8-9-16/h1-7,10-11,16H,8-9,12H2,(H,21,23)
InChIKeyXLKJOTWSNSPTJQ-UHFFFAOYSA-N
XLogP4.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide (CID 175076965) is 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide is O=C(NC1CC1)c1cccc2ccn(Cc3ccc(Cl)cc3)c12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide?
The InChIKey is XLKJOTWSNSPTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-15-6-4-13(5-7-15)12-22-11-10-14-2-1-3-17(18(14)22)19(23)21-16-8-9-16/h1-7,10-11,16H,8-9,12H2,(H,21,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide?
1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide is sourced from PubChem (CID 175076965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).