N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide

C16H14ClNO3 — CID 60792895

IUPACN-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
SMILESO=Cc1c(Cl)cccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-14-7-4-8-15(13(14)10-19)21-11-16(20)18-9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)
InChIKeyBXSMHTHIVFDOLL-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.85
Rot. Bonds6

About N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide

N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide (PubChem CID 60792895) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
PubChem CID60792895
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC NameN-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
SMILESO=Cc1c(Cl)cccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-14-7-4-8-15(13(14)10-19)21-11-16(20)18-9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)
InChIKeyBXSMHTHIVFDOLL-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763455
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763182
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
CID 62573467
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325172
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide?
The IUPAC name of N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide (CID 60792895) is N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide is O=Cc1c(Cl)cccc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide?
The InChIKey is BXSMHTHIVFDOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-7-4-8-15(13(14)10-19)21-11-16(20)18-9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20).
What are the key properties of N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide?
N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide has a molecular weight of 303.75 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide is sourced from PubChem (CID 60792895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).