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Chemical ID: 7255023
Chemical ID:
7255023
Name [?]:
3-(2-chlorophenyl)-N-[(3-chlorophenyl)methyl]propanamide
SMILES [?]:
c1ccc(c(c1)CCC(=O)NCc2cccc(c2)Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO/c17-14-6-3-4-12(10-14)11-19-16(20)9-8-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,6,16,3,7,8,18,12,13,5,17,4,9,19,20,11,10/rA:20nCCCCCCCCCONCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1038 |
Area: | 523.156 |
Solvation: | -1.97513 |
Coulombic: | -24.1269 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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