(2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide

C14H14ClN3O2 — CID 96527966

IUPAC(2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccnn1
InChIInChI=1S/C14H14ClN3O2/c1-2-11(20-12-7-4-3-6-10(12)15)14(19)17-13-8-5-9-16-18-13/h3-9,11H,2H2,1H3,(H,17,18,19)/t11-/m0/s1
InChIKeyRIPYTGZFGASKES-NSHDSACASA-N
MW291.74 g/mol
LogP2.93
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide

(2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide (PubChem CID 96527966) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide
PubChem CID96527966
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccnn1
InChIInChI=1S/C14H14ClN3O2/c1-2-11(20-12-7-4-3-6-10(12)15)14(19)17-13-8-5-9-16-18-13/h3-9,11H,2H2,1H3,(H,17,18,19)/t11-/m0/s1
InChIKeyRIPYTGZFGASKES-NSHDSACASA-N
XLogP2.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
CID 38002090
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
2-(2-chlorophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133160961
2-(2-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133239943
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide (CID 96527966) is (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide is CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccnn1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide?
The InChIKey is RIPYTGZFGASKES-NSHDSACASA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-11(20-12-7-4-3-6-10(12)15)14(19)17-13-8-5-9-16-18-13/h3-9,11H,2H2,1H3,(H,17,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide?
(2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide has a molecular weight of 291.74 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-pyridazin-3-ylbutanamide is sourced from PubChem (CID 96527966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).