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

C19H20ClFN2O2 — CID 27256594

IUPAC4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O2/c20-16-7-5-15(6-8-16)19(25)23-12-1-2-18(24)22-13-11-14-3-9-17(21)10-4-14/h3-10H,1-2,11-13H2,(H,22,24)(H,23,25)
InChIKeyRPJKZGDWVKKVIW-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.35
Rot. Bonds8

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

4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide (PubChem CID 27256594) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
PubChem CID27256594
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O2/c20-16-7-5-15(6-8-16)19(25)23-12-1-2-18(24)22-13-11-14-3-9-17(21)10-4-14/h3-10H,1-2,11-13H2,(H,22,24)(H,23,25)
InChIKeyRPJKZGDWVKKVIW-UHFFFAOYSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[4-[2-(4-aminophenyl)ethylamino]-4-oxobutyl]-4-fluorobenzamide
CID 119548004
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide (CID 27256594) is 4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide?
The InChIKey is RPJKZGDWVKKVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c20-16-7-5-15(6-8-16)19(25)23-12-1-2-18(24)22-13-11-14-3-9-17(21)10-4-14/h3-10H,1-2,11-13H2,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide has a molecular weight of 362.83 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 27256594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).