(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide

C18H17Cl2N3O2 — CID 71487657

IUPAC(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide
SMILESCC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H17Cl2N3O2/c1-2-16(25-18-14(20)8-13(19)10-23-18)17(24)22-9-11-3-4-15-12(7-11)5-6-21-15/h3-8,10,16,21H,2,9H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeySLSYMFIQOLTDDZ-MRXNPFEDSA-N
MW378.26 g/mol
LogP4.34
Rot. Bonds6

About (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide

(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide (PubChem CID 71487657) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide
PubChem CID71487657
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide
SMILESCC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H17Cl2N3O2/c1-2-16(25-18-14(20)8-13(19)10-23-18)17(24)22-9-11-3-4-15-12(7-11)5-6-21-15/h3-8,10,16,21H,2,9H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeySLSYMFIQOLTDDZ-MRXNPFEDSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide?
The IUPAC name of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide (CID 71487657) is (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide is CC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCc1ccc2[nH]ccc2c1.
What is the InChIKey of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide?
The InChIKey is SLSYMFIQOLTDDZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-2-16(25-18-14(20)8-13(19)10-23-18)17(24)22-9-11-3-4-15-12(7-11)5-6-21-15/h3-8,10,16,21H,2,9H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide?
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide has a molecular weight of 378.26 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1H-indol-5-ylmethyl)butanamide is sourced from PubChem (CID 71487657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).