N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide

C13H16ClFN2O2 — CID 108570802

IUPACN-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide
SMILESO=C(CCCCl)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C13H16ClFN2O2/c14-7-3-6-12(18)16-8-9-17-13(19)10-4-1-2-5-11(10)15/h1-2,4-5H,3,6-9H2,(H,16,18)(H,17,19)
InChIKeyYUVYKCALKKTZEN-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.69
Rot. Bonds7

About N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide

N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide (PubChem CID 108570802) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide
PubChem CID108570802
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide
SMILESO=C(CCCCl)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C13H16ClFN2O2/c14-7-3-6-12(18)16-8-9-17-13(19)10-4-1-2-5-11(10)15/h1-2,4-5H,3,6-9H2,(H,16,18)(H,17,19)
InChIKeyYUVYKCALKKTZEN-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-[2-(3-chloropropanoylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108574420
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
ethyl 4-[2-[(2-fluorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108570798
2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108538205
2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
CID 55974318
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119742068

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide (CID 108570802) is N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide is O=C(CCCCl)NCCNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide?
The InChIKey is YUVYKCALKKTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-7-3-6-12(18)16-8-9-17-13(19)10-4-1-2-5-11(10)15/h1-2,4-5H,3,6-9H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide?
N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide has a molecular weight of 286.73 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 108570802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).