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Chemical ID: 6677221
Chemical ID:
6677221
Name [?]:
4-chloro-N-[(3,4-dichlorophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCC(=O)NN=Cc2ccc(c(c2)Cl)Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3N3O2/c17-12-4-2-11(3-5-12)16(24)20-9-15(23)22-21-8-10-1-6-13(18)14(19)7-10/h1-8H,9H2,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:17,1,5,2,4,18,21,15,10,16,6,3,19,20,11,7,24,23,22,9,14,13,12,8/E:(2,3)(4,5)/rA:24nCCCCCCCONCCONNCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl3N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.974 |
Area: | 602.198 |
Solvation: | -4.08098 |
Coulombic: | -42.0904 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.644 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.03 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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