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

C16H15ClFNO — CID 22660939

IUPACN-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)Cc1ccccc1Cl
InChIInChI=1S/C16H15ClFNO/c1-12(20)19(10-13-6-8-15(18)9-7-13)11-14-4-2-3-5-16(14)17/h2-9H,10-11H2,1H3
InChIKeyHQRVIRCGJLQVHQ-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.03
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 22660939) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID22660939
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)Cc1ccccc1Cl
InChIInChI=1S/C16H15ClFNO/c1-12(20)19(10-13-6-8-15(18)9-7-13)11-14-4-2-3-5-16(14)17/h2-9H,10-11H2,1H3
InChIKeyHQRVIRCGJLQVHQ-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.03
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-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 22660939) is N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)N(Cc1ccc(F)cc1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is HQRVIRCGJLQVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-12(20)19(10-13-6-8-15(18)9-7-13)11-14-4-2-3-5-16(14)17/h2-9H,10-11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide?
N-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 291.75 g/mol, XLogP of 4.03, 4 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 22660939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).