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Chemical ID: 6652099
Chemical ID:
6652099
Name [?]:
3-chloro-N-[(2,4-dichlorophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)NCC(=O)NN=Cc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3N3O2/c17-12-3-1-2-10(6-12)16(24)20-9-15(23)22-21-8-11-4-5-13(18)7-14(11)19/h1-8H,9H2,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,4,21,16,11,3,17,5,20,22,12,8,7,24,23,10,15,14,13,9/rA:24nCCCCCCClCONCCONNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl3N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2208 |
Area: | 604.434 |
Solvation: | -3.89007 |
Coulombic: | -42.1379 |
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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