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Chemical ID: 6507321
Chemical ID:
6507321
Name [?]:
4-chloro-N-[(2,4-dichlorophenyl)methyl]benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCc2ccc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NO/c15-11-4-1-9(2-5-11)14(19)18-8-10-3-6-12(16)7-13(10)17/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,12,2,4,13,15,10,6,11,3,14,16,7,19,18,17,9,8/E:(1,2)(4,5)/rA:19nCCCCCCCONCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl3NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8935 |
Area: | 506.864 |
Solvation: | -1.77808 |
Coulombic: | -25.1871 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 314.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.0 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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