3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide

C19H23FN2O — CID 75428281

IUPAC3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CCNC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H23FN2O/c1-14(12-16-6-8-18(20)9-7-16)22-11-10-15-4-3-5-17(13-15)19(23)21-2/h3-9,13-14,22H,10-12H2,1-2H3,(H,21,23)
InChIKeyWNGCFQUZVAKILB-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.95
Rot. Bonds7

About 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide

3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide (PubChem CID 75428281) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide
PubChem CID75428281
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CCNC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H23FN2O/c1-14(12-16-6-8-18(20)9-7-16)22-11-10-15-4-3-5-17(13-15)19(23)21-2/h3-9,13-14,22H,10-12H2,1-2H3,(H,21,23)
InChIKeyWNGCFQUZVAKILB-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 62995433
3-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111232758
3-[2-[[N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632442
3-ethyl-N-methylbenzamide
CID 59115297
[4-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]benzoyl]piperazin-1-yl]-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenyl]methanone
CID 44533762
N-methyl-3-[2-[[N'-methyl-N-(5-methylhexan-2-yl)carbamimidoyl]amino]ethyl]benzamide
CID 111773376
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
N-(4-fluorophenyl)-3-propylbenzamide
CID 67124945
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
tert-butyl (2R)-2-[(2R)-2-[2-[3-(methylcarbamoyl)phenyl]ethylamino]propyl]pyrrolidine-1-carboxylate
CID 97019560
3-[2-[[N-[2-(3-bromo-4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632838

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide (CID 75428281) is 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide is CNC(=O)c1cccc(CCNC(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide?
The InChIKey is WNGCFQUZVAKILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14(12-16-6-8-18(20)9-7-16)22-11-10-15-4-3-5-17(13-15)19(23)21-2/h3-9,13-14,22H,10-12H2,1-2H3,(H,21,23).
What are the key properties of 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide?
3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide has a molecular weight of 314.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide is sourced from PubChem (CID 75428281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).