4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide

C19H20ClFN2O2 — CID 2650169

IUPAC4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccccc1F)C(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN2O2/c1-23(13-15-5-2-3-6-17(15)21)18(24)7-4-12-22-19(25)14-8-10-16(20)11-9-14/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,22,25)
InChIKeyUEXZLPLDLMNKDN-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.65
Rot. Bonds7

About 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide

4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide (PubChem CID 2650169) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
PubChem CID2650169
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccccc1F)C(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN2O2/c1-23(13-15-5-2-3-6-17(15)21)18(24)7-4-12-22-19(25)14-8-10-16(20)11-9-14/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,22,25)
InChIKeyUEXZLPLDLMNKDN-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide (CID 2650169) is 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide is CN(Cc1ccccc1F)C(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The InChIKey is UEXZLPLDLMNKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-23(13-15-5-2-3-6-17(15)21)18(24)7-4-12-22-19(25)14-8-10-16(20)11-9-14/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide has a molecular weight of 362.83 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 2650169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).