3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide

C20H17Cl2N3O — CID 71816538

IUPAC3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccc(Cl)cc12)NCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H17Cl2N3O/c21-14-2-4-18-16(7-14)12(9-23-18)1-6-20(26)25-11-13-10-24-19-5-3-15(22)8-17(13)19/h2-5,7-10,23-24H,1,6,11H2,(H,25,26)
InChIKeyLDTHATWVRMFRTP-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.20
Rot. Bonds5

About 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide

3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide (PubChem CID 71816538) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide
PubChem CID71816538
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccc(Cl)cc12)NCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H17Cl2N3O/c21-14-2-4-18-16(7-14)12(9-23-18)1-6-20(26)25-11-13-10-24-19-5-3-15(22)8-17(13)19/h2-5,7-10,23-24H,1,6,11H2,(H,25,26)
InChIKeyLDTHATWVRMFRTP-UHFFFAOYSA-N
XLogP5.20
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide (CID 71816538) is 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide is O=C(CCc1c[nH]c2ccc(Cl)cc12)NCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide?
The InChIKey is LDTHATWVRMFRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-14-2-4-18-16(7-14)12(9-23-18)1-6-20(26)25-11-13-10-24-19-5-3-15(22)8-17(13)19/h2-5,7-10,23-24H,1,6,11H2,(H,25,26).
What are the key properties of 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide?
3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide has a molecular weight of 386.28 g/mol, XLogP of 5.20, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide is sourced from PubChem (CID 71816538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).