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Chemical ID: 5582191
Chemical ID:
5582191
Name [?]:
N-[(4-chlorophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H14ClN3O2/c17-14-8-6-12(7-9-14)10-19-20-15(21)11-18-16(22)13-4-2-1-3-5-13/h1-10H,11H2,(H,18,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,21,18,20,15,10,16,4,19,11,7,22,9,14,13,12,8/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCONCCONNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClN3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61209 |
Area: | 539.274 |
Solvation: | -3.86976 |
Coulombic: | -42.3342 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.754 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.79 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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