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Chemical ID: 5093763
Chemical ID:
5093763
Name [?]:
2-chloro-N-[1-(2-chlorobenzoyl)aminoethyl]benzamide
SMILES [?]:
CC(NC(=O)c1ccccc1Cl)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C16H14Cl2N2O2/c1-10(19-15(21)11-6-2-4-8-13(11)17)20-16(22)12-7-3-5-9-14(12)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,18,9,19,7,17,10,20,2,6,16,11,21,4,14,12,22,3,13,5,15/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/rA:22nCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s2;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25283 |
Area: | 525.26 |
Solvation: | -3.87866 |
Coulombic: | -44.0379 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.2 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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