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Chemical ID: 7350024
Chemical ID:
7350024
Name [?]:
N-[1-(2,4-dichlorophenyl)ethyl]-3-fluoro-benzamide
SMILES [?]:
CC(c1ccc(cc1Cl)Cl)NC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C15H12Cl2FNO/c1-9(13-6-5-11(16)8-14(13)17)19-15(20)10-3-2-4-12(18)7-10/h2-9H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,5,4,19,7,2,14,6,18,3,8,12,10,9,20,11,13/rA:20cCCCCCCCCClClNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s2;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl2FNO |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.54348 |
Area: | 490.859 |
Solvation: | -2.728 |
Coulombic: | -27.8864 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.166 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.07 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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