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Chemical ID: 5441352
Chemical ID:
5441352
Name [?]:
2-chloro-N-(o-tolylcarbamoylmethyl)benzamide
SMILES [?]:
Cc1ccccc1NC(=O)CNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C16H15ClN2O2/c1-11-6-2-5-9-14(11)19-15(20)10-18-16(21)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,17,18,5,3,16,19,6,11,2,15,20,7,9,13,21,12,8,10,14/rA:21nCCCCCCCNCOCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7083 |
Area: | 501.336 |
Solvation: | -2.82509 |
Coulombic: | -44.0007 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.755 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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