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Chemical ID: 6401455
Chemical ID:
6401455
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3-fluoro-benzamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C14H11ClFNO/c1-9-12(15)6-3-7-13(9)17-14(18)10-4-2-5-11(16)8-10/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,5,13,15,6,4,17,2,12,16,7,3,10,8,18,9,11/rA:18nCCCCCCCClNCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClFNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2648 |
Area: | 430.757 |
Solvation: | -2.50414 |
Coulombic: | -26.6953 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.694 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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