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Chemical ID: 4745354
Chemical ID:
4745354
Name [?]:
4-chloro-N-[(2-chloro-6-fluoro-phenyl)methyl]benzamide
SMILES [?]:
c1cc(c(c(c1)Cl)CNC(=O)c2ccc(cc2)Cl)F
InChi [?]:
InChI=1/C14H10Cl2FNO/c15-10-6-4-9(5-7-10)14(19)18-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,2,13,17,14,16,8,12,15,4,5,3,10,18,7,19,9,11/E:(4,5)(6,7)/rA:19nCCCCCCClCNCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2FNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27612 |
Area: | 476.548 |
Solvation: | -2.63757 |
Coulombic: | -28.0923 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.139 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.54 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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