N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide

C16H14ClNO3 — CID 975145

IUPACN-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C=O)cc1Cl
InChIInChI=1S/C16H14ClNO3/c1-11-6-7-13(8-14(11)17)18-16(20)10-21-15-5-3-2-4-12(15)9-19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYJMUUDQNUQGPCK-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.48
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide

N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide (PubChem CID 975145) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide
PubChem CID975145
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C=O)cc1Cl
InChIInChI=1S/C16H14ClNO3/c1-11-6-7-13(8-14(11)17)18-16(20)10-21-15-5-3-2-4-12(15)9-19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYJMUUDQNUQGPCK-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide (CID 975145) is N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide is Cc1ccc(NC(=O)COc2ccccc2C=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide?
The InChIKey is YJMUUDQNUQGPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11-6-7-13(8-14(11)17)18-16(20)10-21-15-5-3-2-4-12(15)9-19/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide has a molecular weight of 303.75 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 975145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).