2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide

C19H20Cl2FNO — CID 11717616

IUPAC2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide
SMILESCCc1ccc(F)c(CNC(=O)C(CC)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H20Cl2FNO/c1-3-12-5-8-18(22)14(9-12)11-23-19(24)15(4-2)13-6-7-16(20)17(21)10-13/h5-10,15H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyXXKCFTOPGRCEKU-UHFFFAOYSA-N
MW368.28 g/mol
LogP5.50
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide

2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide (PubChem CID 11717616) has the molecular formula C19H20Cl2FNO and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide
PubChem CID11717616
Molecular FormulaC19H20Cl2FNO
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide
SMILESCCc1ccc(F)c(CNC(=O)C(CC)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H20Cl2FNO/c1-3-12-5-8-18(22)14(9-12)11-23-19(24)15(4-2)13-6-7-16(20)17(21)10-13/h5-10,15H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyXXKCFTOPGRCEKU-UHFFFAOYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide (CID 11717616) is 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide is CCc1ccc(F)c(CNC(=O)C(CC)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide?
The InChIKey is XXKCFTOPGRCEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FNO/c1-3-12-5-8-18(22)14(9-12)11-23-19(24)15(4-2)13-6-7-16(20)17(21)10-13/h5-10,15H,3-4,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide?
2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide has a molecular weight of 368.28 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 11717616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).