(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide

C17H16ClN3O5 — CID 7979689

IUPAC(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H16ClN3O5/c1-10(26-16-8-3-12(18)9-15(16)21(24)25)17(23)20-14-6-4-13(5-7-14)19-11(2)22/h3-10H,1-2H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyXQRORWRSHVKMAZ-JTQLQIEISA-N
MW377.78 g/mol
LogP3.61
Rot. Bonds6

About (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide

(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide (PubChem CID 7979689) has the molecular formula C17H16ClN3O5 and a molecular weight of 377.78 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
PubChem CID7979689
Molecular FormulaC17H16ClN3O5
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H16ClN3O5/c1-10(26-16-8-3-12(18)9-15(16)21(24)25)17(23)20-14-6-4-13(5-7-14)19-11(2)22/h3-10H,1-2H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyXQRORWRSHVKMAZ-JTQLQIEISA-N
XLogP3.61
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
CID 8601126
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 1293039
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate
CID 16796768
methyl 2-(4-chloro-2-nitrophenoxy)propanoate
CID 54941361
(2R)-2-[2-(4-chloro-2-nitrophenoxy)propanoylamino]propanoic acid
CID 119369892
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8560082
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide (CID 7979689) is (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide?
The InChIKey is XQRORWRSHVKMAZ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16ClN3O5/c1-10(26-16-8-3-12(18)9-15(16)21(24)25)17(23)20-14-6-4-13(5-7-14)19-11(2)22/h3-10H,1-2H3,(H,19,22)(H,20,23)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide?
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide has a molecular weight of 377.78 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide is sourced from PubChem (CID 7979689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).