(2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide

C17H16ClN3O2 — CID 95290852

IUPAC(2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide
SMILESCc1cc2cn[nH]c2cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-10-6-12-9-19-21-16(12)8-15(10)20-17(22)11(2)23-14-5-3-4-13(18)7-14/h3-9,11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyKJRXYXHERLXSER-LLVKDONJSA-N
MW329.79 g/mol
LogP3.93
Rot. Bonds4

About (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide

(2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide (PubChem CID 95290852) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide
PubChem CID95290852
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide
SMILESCc1cc2cn[nH]c2cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-10-6-12-9-19-21-16(12)8-15(10)20-17(22)11(2)23-14-5-3-4-13(18)7-14/h3-9,11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyKJRXYXHERLXSER-LLVKDONJSA-N
XLogP3.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 25496543
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124574267
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide
CID 81486262
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide (CID 95290852) is (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide is Cc1cc2cn[nH]c2cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide?
The InChIKey is KJRXYXHERLXSER-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-6-12-9-19-21-16(12)8-15(10)20-17(22)11(2)23-14-5-3-4-13(18)7-14/h3-9,11H,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide?
(2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide has a molecular weight of 329.79 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide is sourced from PubChem (CID 95290852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).