N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide

C17H17ClN2O4 — CID 129398707

IUPACN-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
SMILESC[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-17(22,13-3-2-4-14(18)10-13)11-19-16(21)9-12-5-7-15(8-6-12)20(23)24/h2-8,10,22H,9,11H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyYLXUJSUUUCLORA-QGZVFWFLSA-N
MW348.79 g/mol
LogP2.81
Rot. Bonds6

About N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide

N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide (PubChem CID 129398707) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
PubChem CID129398707
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
SMILESC[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-17(22,13-3-2-4-14(18)10-13)11-19-16(21)9-12-5-7-15(8-6-12)20(23)24/h2-8,10,22H,9,11H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyYLXUJSUUUCLORA-QGZVFWFLSA-N
XLogP2.81
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.81
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

2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
2-(3-chlorophenyl)-1-[2-(difluoromethoxy)-4-nitroanilino]propan-2-ol
CID 133473075
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(4-nitrophenyl)acetamide
CID 111520064
N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5048293
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-nitrobenzamide
CID 111334974
N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 9218215
1-[4-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-nitrophenyl]ethanone
CID 133473129
2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide
CID 90599943
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
CID 81484734
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
CID 119642438
5-[[2-(3-chlorophenyl)-2-hydroxypropyl]carbamoyl]-3-methylfuran-2-carboxylic acid
CID 146133358
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide (CID 129398707) is N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide is C[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is YLXUJSUUUCLORA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-17(22,13-3-2-4-14(18)10-13)11-19-16(21)9-12-5-7-15(8-6-12)20(23)24/h2-8,10,22H,9,11H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide?
N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 348.79 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 129398707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).