4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide

C12H16ClFN2O2 — CID 107990784

IUPAC4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide
SMILESCOCCNCCNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O2/c1-18-7-6-15-4-5-16-12(17)9-2-3-10(13)11(14)8-9/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyAEFDMAGFRDIQFT-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.44
Rot. Bonds7

About 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide

4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide (PubChem CID 107990784) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide
PubChem CID107990784
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide
SMILESCOCCNCCNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O2/c1-18-7-6-15-4-5-16-12(17)9-2-3-10(13)11(14)8-9/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyAEFDMAGFRDIQFT-UHFFFAOYSA-N
XLogP1.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107990807
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
1-(4-chloro-3-fluorophenyl)-4-methoxybutan-1-one
CID 107996822
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 107994173
4-chloro-N-(4-cyanobutyl)-3-fluorobenzamide
CID 113343444
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
N-(4-amino-4-sulfanylidenebutyl)-4-chloro-3-fluorobenzamide
CID 114024478

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide (CID 107990784) is 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide is COCCNCCNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The InChIKey is AEFDMAGFRDIQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-18-7-6-15-4-5-16-12(17)9-2-3-10(13)11(14)8-9/h2-3,8,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide?
4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide has a molecular weight of 274.72 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide is sourced from PubChem (CID 107990784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).