N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide

C18H19ClFNO — CID 22660970

IUPACN-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CCCc1ccccc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C18H19ClFNO/c1-14(22)21(13-15-8-10-17(20)11-9-15)12-4-6-16-5-2-3-7-18(16)19/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyKLSZKYDMQARUPY-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.46
Rot. Bonds6

About N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide

N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 22660970) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID22660970
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC NameN-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CCCc1ccccc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C18H19ClFNO/c1-14(22)21(13-15-8-10-17(20)11-9-15)12-4-6-16-5-2-3-7-18(16)19/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyKLSZKYDMQARUPY-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 22660970) is N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)N(CCCc1ccccc1Cl)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is KLSZKYDMQARUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c1-14(22)21(13-15-8-10-17(20)11-9-15)12-4-6-16-5-2-3-7-18(16)19/h2-3,5,7-11H,4,6,12-13H2,1H3.
What are the key properties of N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide?
N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 319.81 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 22660970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).