1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide

C19H20ClN3O — CID 69114086

IUPAC1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide
SMILESCCCN(Cc1ccc(Cl)cc1)C(=O)c1cc2ccccc2n1N
InChIInChI=1S/C19H20ClN3O/c1-2-11-22(13-14-7-9-16(20)10-8-14)19(24)18-12-15-5-3-4-6-17(15)23(18)21/h3-10,12H,2,11,13,21H2,1H3
InChIKeyHHMCNGNNQYTNAE-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.06
Rot. Bonds5

About 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide

1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide (PubChem CID 69114086) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide
PubChem CID69114086
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide
SMILESCCCN(Cc1ccc(Cl)cc1)C(=O)c1cc2ccccc2n1N
InChIInChI=1S/C19H20ClN3O/c1-2-11-22(13-14-7-9-16(20)10-8-14)19(24)18-12-15-5-3-4-6-17(15)23(18)21/h3-10,12H,2,11,13,21H2,1H3
InChIKeyHHMCNGNNQYTNAE-UHFFFAOYSA-N
XLogP4.06
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide?
The IUPAC name of 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide (CID 69114086) is 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide?
The canonical SMILES for 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide is CCCN(Cc1ccc(Cl)cc1)C(=O)c1cc2ccccc2n1N.
What is the InChIKey of 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide?
The InChIKey is HHMCNGNNQYTNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-2-11-22(13-14-7-9-16(20)10-8-14)19(24)18-12-15-5-3-4-6-17(15)23(18)21/h3-10,12H,2,11,13,21H2,1H3.
What are the key properties of 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide?
1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-chlorophenyl)methyl]-N-propylindole-2-carboxamide is sourced from PubChem (CID 69114086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).