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Chemical ID: 5444906
Chemical ID:
5444906
Name [?]:
2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILES [?]:
c1cc(c(c(c1)Cl)C(=O)NCc2ccc(cc2)F)F
InChi [?]:
InChI=1/C14H10ClF2NO/c15-11-2-1-3-12(17)13(11)14(19)18-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,2,13,17,14,16,11,12,15,5,3,4,8,7,18,19,10,9/E:(4,5)(6,7)/rA:19nCCCCCCClCONCCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10ClF2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68953 |
Area: | 450.588 |
Solvation: | -3.57518 |
Coulombic: | -30.4641 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.685 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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