(2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one

C17H13ClN2O4 — CID 7865852

IUPAC(2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13ClN2O4/c1-10(24-16-7-6-11(20(22)23)8-14(16)18)17(21)13-9-19-15-5-3-2-4-12(13)15/h2-10,19H,1H3/t10-/m1/s1
InChIKeySYUYLDBJQIQOAZ-SNVBAGLBSA-N
MW344.75 g/mol
LogP4.38
Rot. Bonds5

About (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one

(2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one (PubChem CID 7865852) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one
PubChem CID7865852
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name(2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13ClN2O4/c1-10(24-16-7-6-11(20(22)23)8-14(16)18)17(21)13-9-19-15-5-3-2-4-12(13)15/h2-10,19H,1H3/t10-/m1/s1
InChIKeySYUYLDBJQIQOAZ-SNVBAGLBSA-N
XLogP4.38
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-chlorophenoxy)-1-(1H-indol-3-yl)propan-1-one
CID 7815825
(2R)-1-(1H-indol-3-yl)-2-(2-nitrophenoxy)propan-1-one
CID 7819094
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-chloro-2-nitrobenzoate
CID 8603996
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethyl-N-phenylpropanamide
CID 7865970
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882
2-(2-chloro-4-nitrophenoxy)butanamide
CID 62901256
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-nitrofuran-2-carboxylate
CID 9454840
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate
CID 42984050
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570362

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one (CID 7865852) is (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one is C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is SYUYLDBJQIQOAZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-10(24-16-7-6-11(20(22)23)8-14(16)18)17(21)13-9-19-15-5-3-2-4-12(13)15/h2-10,19H,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one?
(2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 344.75 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-nitrophenoxy)-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 7865852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).