N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide

C18H19FN2O2 — CID 175162344

IUPACN-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O2/c1-3-17(22)21-16-10-6-14(7-11-16)18(23)20-12(2)13-4-8-15(19)9-5-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGNRMRSUBQGAKGL-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide

N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide (PubChem CID 175162344) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
PubChem CID175162344
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O2/c1-3-17(22)21-16-10-6-14(7-11-16)18(23)20-12(2)13-4-8-15(19)9-5-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGNRMRSUBQGAKGL-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
CID 175156198
3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436900
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
CID 119744059
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-(2-oxopyrrolidin-1-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657710

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide (CID 175162344) is N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide?
The InChIKey is GNRMRSUBQGAKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-17(22)21-16-10-6-14(7-11-16)18(23)20-12(2)13-4-8-15(19)9-5-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide?
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide has a molecular weight of 314.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 175162344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).