N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide

C17H15ClN2O4 — CID 7577886

IUPACN-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O4/c1-2-5-12-10-13(20(22)23)8-9-16(12)24-11-17(21)19-15-7-4-3-6-14(15)18/h2-4,6-10H,1,5,11H2,(H,19,21)
InChIKeyCIRHJPSKSIPXQH-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.99
Rot. Bonds7

About N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide

N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide (PubChem CID 7577886) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
PubChem CID7577886
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC NameN-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O4/c1-2-5-12-10-13(20(22)23)8-9-16(12)24-11-17(21)19-15-7-4-3-6-14(15)18/h2-4,6-10H,1,5,11H2,(H,19,21)
InChIKeyCIRHJPSKSIPXQH-UHFFFAOYSA-N
XLogP3.99
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578310
N-(4-methoxy-2-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578589
N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578425
2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
CID 35942555
N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578073
N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237257
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743749
ethyl 4-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 7631754
N,N-dimethyl-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide
CID 8959522
2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide
CID 27143091
N-[(E)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 126272778
N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34744103

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide (CID 7577886) is N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide is C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
The InChIKey is CIRHJPSKSIPXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-2-5-12-10-13(20(22)23)8-9-16(12)24-11-17(21)19-15-7-4-3-6-14(15)18/h2-4,6-10H,1,5,11H2,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide?
N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide has a molecular weight of 346.77 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 7577886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).