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Chemical ID: 5768774
Chemical ID:
5768774
Name [?]:
N-(4-fluorophenyl)-3-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C15H14FNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,14,16,13,17,8,4,15,12,9,18,11,10/E:(2,3)(4,5)(7,8)(9,10)/rA:18nCCCCCCCCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.10893 |
Area: | 437.642 |
Solvation: | -2.83212 |
Coulombic: | -25.3194 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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