2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide

C19H21ClFNO — CID 11522835

IUPAC2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide
SMILESCCc1ccc(F)c(CNC(=O)C(CC)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H21ClFNO/c1-3-13-8-9-18(21)15(10-13)12-22-19(23)17(4-2)14-6-5-7-16(20)11-14/h5-11,17H,3-4,12H2,1-2H3,(H,22,23)
InChIKeyGJKLFTXEMDCWMC-UHFFFAOYSA-N
MW333.83 g/mol
LogP4.85
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide

2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide (PubChem CID 11522835) has the molecular formula C19H21ClFNO and a molecular weight of 333.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide
PubChem CID11522835
Molecular FormulaC19H21ClFNO
Molecular Weight333.83 g/mol
Exact Mass333.13
IUPAC Name2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide
SMILESCCc1ccc(F)c(CNC(=O)C(CC)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H21ClFNO/c1-3-13-8-9-18(21)15(10-13)12-22-19(23)17(4-2)14-6-5-7-16(20)11-14/h5-11,17H,3-4,12H2,1-2H3,(H,22,23)
InChIKeyGJKLFTXEMDCWMC-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide (CID 11522835) is 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide is CCc1ccc(F)c(CNC(=O)C(CC)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide?
The InChIKey is GJKLFTXEMDCWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO/c1-3-13-8-9-18(21)15(10-13)12-22-19(23)17(4-2)14-6-5-7-16(20)11-14/h5-11,17H,3-4,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide?
2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide has a molecular weight of 333.83 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(5-ethyl-2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 11522835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).