N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide

C17H15ClN2O4 — CID 19237257

IUPACN-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15ClN2O4/c1-2-5-12-6-3-4-7-16(12)24-11-17(21)19-13-8-9-14(18)15(10-13)20(22)23/h2-4,6-10H,1,5,11H2,(H,19,21)
InChIKeyDQNGZCSOKKZKIP-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.99
Rot. Bonds7

About N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide

N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 19237257) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID19237257
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15ClN2O4/c1-2-5-12-6-3-4-7-16(12)24-11-17(21)19-13-8-9-14(18)15(10-13)20(22)23/h2-4,6-10H,1,5,11H2,(H,19,21)
InChIKeyDQNGZCSOKKZKIP-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-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237258
2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 19202492
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 40661980
N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407053
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153
N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7577886
N-(3-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407018
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
N-(4-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407019
N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide
CID 31815932
2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 24534004
1-(4-chloro-3-nitrophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893257

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide (CID 19237257) is N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is DQNGZCSOKKZKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-2-5-12-6-3-4-7-16(12)24-11-17(21)19-13-8-9-14(18)15(10-13)20(22)23/h2-4,6-10H,1,5,11H2,(H,19,21).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(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-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 19237257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).