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Chemical ID: 4216313
Chemical ID:
4216313
Name [?]:
2-fluoro-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2ccccc2F
InChi [?]:
InChI=1/C15H14FNO/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16/h2-11H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,14,15,4,8,13,16,2,3,12,17,10,18,9,11/E:(3,4)(7,8)/rA:18cCCCCCCCCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.56064 |
Area: | 428.295 |
Solvation: | -3.14673 |
Coulombic: | -27.4438 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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