N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide

C19H19ClN2O — CID 20899770

IUPACN-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C19H19ClN2O/c1-22-13-15(17-7-2-3-8-18(17)22)9-10-19(23)21-12-14-5-4-6-16(20)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,21,23)
InChIKeyKJFWGKGFTOHJQX-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.08
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide

N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide (PubChem CID 20899770) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide
PubChem CID20899770
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C19H19ClN2O/c1-22-13-15(17-7-2-3-8-18(17)22)9-10-19(23)21-12-14-5-4-6-16(20)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,21,23)
InChIKeyKJFWGKGFTOHJQX-UHFFFAOYSA-N
XLogP4.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide (CID 20899770) is N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide is Cn1cc(CCC(=O)NCc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide?
The InChIKey is KJFWGKGFTOHJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-22-13-15(17-7-2-3-8-18(17)22)9-10-19(23)21-12-14-5-4-6-16(20)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,21,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide?
N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide has a molecular weight of 326.83 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 20899770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).