2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide

C17H17ClN2O4 — CID 71917431

IUPAC2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H17ClN2O4/c18-16-10-14(20(23)24)7-6-13(16)9-17(22)19-11-15(21)8-12-4-2-1-3-5-12/h1-7,10,15,21H,8-9,11H2,(H,19,22)
InChIKeyVBWYFVNKWCWICE-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.51
Rot. Bonds7

About 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide

2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide (PubChem CID 71917431) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
PubChem CID71917431
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H17ClN2O4/c18-16-10-14(20(23)24)7-6-13(16)9-17(22)19-11-15(21)8-12-4-2-1-3-5-12/h1-7,10,15,21H,8-9,11H2,(H,19,22)
InChIKeyVBWYFVNKWCWICE-UHFFFAOYSA-N
XLogP2.51
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
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

1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine
CID 65019647
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide
CID 119526281
(E)-N-(2-hydroxy-3-phenylpropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 90534392
2-[[[2-(2-chloro-4-nitrophenyl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 120533367
1-(3-nitroanilino)-3-phenylpropan-2-ol
CID 166083166
2-(2,6-dichloro-4-nitrophenyl)-3-phenylpropanoate
CID 22215636
(2S)-2-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119361773
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-one
CID 63199228
1-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 120530534
N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
CID 119641734
2-(2-chloro-4-nitrophenyl)ethanethioic S-acid
CID 91621429
(2S)-2-[(2-chloro-4-nitrophenyl)methylamino]propanoic acid
CID 83194102

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide (CID 71917431) is 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC(O)Cc1ccccc1.
What is the InChIKey of 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is VBWYFVNKWCWICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c18-16-10-14(20(23)24)7-6-13(16)9-17(22)19-11-15(21)8-12-4-2-1-3-5-12/h1-7,10,15,21H,8-9,11H2,(H,19,22).
What are the key properties of 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 348.79 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide is sourced from PubChem (CID 71917431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).