N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide

C18H17Cl2N3O2 — CID 177338067

IUPACN-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2cc(Cl)c(OCc3ccc(Cl)cn3)cc2[nH]1
InChIInChI=1S/C18H17Cl2N3O2/c1-2-18(24)22-9-14-5-11-6-15(20)17(7-16(11)23-14)25-10-13-4-3-12(19)8-21-13/h3-8,23H,2,9-10H2,1H3,(H,22,24)
InChIKeyLAIDMLBBLXKUCJ-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.47
Rot. Bonds6

About N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide

N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide (PubChem CID 177338067) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide
PubChem CID177338067
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2cc(Cl)c(OCc3ccc(Cl)cn3)cc2[nH]1
InChIInChI=1S/C18H17Cl2N3O2/c1-2-18(24)22-9-14-5-11-6-15(20)17(7-16(11)23-14)25-10-13-4-3-12(19)8-21-13/h3-8,23H,2,9-10H2,1H3,(H,22,24)
InChIKeyLAIDMLBBLXKUCJ-UHFFFAOYSA-N
XLogP4.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide (CID 177338067) is N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide is CCC(=O)NCc1cc2cc(Cl)c(OCc3ccc(Cl)cn3)cc2[nH]1.
What is the InChIKey of N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide?
The InChIKey is LAIDMLBBLXKUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-2-18(24)22-9-14-5-11-6-15(20)17(7-16(11)23-14)25-10-13-4-3-12(19)8-21-13/h3-8,23H,2,9-10H2,1H3,(H,22,24).
What are the key properties of N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide?
N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide has a molecular weight of 378.26 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(5-chloro-2-pyridinyl)methoxy]-1H-indol-2-yl]methyl]propanamide is sourced from PubChem (CID 177338067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).