2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide

C17H16ClN3O5 — CID 126232825

IUPAC2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
SMILESCCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H16ClN3O5/c1-2-25-15-8-11(7-14(18)17(15)26-10-16(19)22)9-20-12-3-5-13(6-4-12)21(23)24/h3-9H,2,10H2,1H3,(H2,19,22)/b20-9+
InChIKeyVQWCMNKVHSQSJW-AWQFTUOYSA-N
MW377.78 g/mol
LogP3.26
Rot. Bonds8

About 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide

2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide (PubChem CID 126232825) has the molecular formula C17H16ClN3O5 and a molecular weight of 377.78 g/mol. Its IUPAC name is 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
PubChem CID126232825
Molecular FormulaC17H16ClN3O5
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC Name2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
SMILESCCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H16ClN3O5/c1-2-25-15-8-11(7-14(18)17(15)26-10-16(19)22)9-20-12-3-5-13(6-4-12)21(23)24/h3-9H,2,10H2,1H3,(H2,19,22)/b20-9+
InChIKeyVQWCMNKVHSQSJW-AWQFTUOYSA-N
XLogP3.26
TPSA117.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

2-[2,6-dichloro-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
CID 126225216
2-[2-chloro-6-methoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126051170
2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
CID 57361228
2-[2-chloro-6-ethoxy-4-[(E)-[1-(4-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
CID 126233942
1-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-N-(4-nitrophenyl)methanimine
CID 126053218
2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide
CID 19587913
1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205917
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126258500
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
N-[(E)-[3-chloro-5-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 126366921
1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208356
N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide
CID 833853

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide (CID 126232825) is 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide is CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide?
The InChIKey is VQWCMNKVHSQSJW-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5/c1-2-25-15-8-11(7-14(18)17(15)26-10-16(19)22)9-20-12-3-5-13(6-4-12)21(23)24/h3-9H,2,10H2,1H3,(H2,19,22)/b20-9+.
What are the key properties of 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide?
2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide has a molecular weight of 377.78 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 126232825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).