N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C17H17ClFNO — CID 22660881

IUPACN-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)Cc1ccccc1Cl
InChIInChI=1S/C17H17ClFNO/c1-13(21)20(12-15-4-2-3-5-17(15)18)11-10-14-6-8-16(19)9-7-14/h2-9H,10-12H2,1H3
InChIKeyPOLRHTQYPNVAOW-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.07
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 22660881) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID22660881
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)Cc1ccccc1Cl
InChIInChI=1S/C17H17ClFNO/c1-13(21)20(12-15-4-2-3-5-17(15)18)11-10-14-6-8-16(19)9-7-14/h2-9H,10-12H2,1H3
InChIKeyPOLRHTQYPNVAOW-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 22660881) is N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)N(CCc1ccc(F)cc1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is POLRHTQYPNVAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-13(21)20(12-15-4-2-3-5-17(15)18)11-10-14-6-8-16(19)9-7-14/h2-9H,10-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 305.78 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 22660881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).