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Chemical ID: 7283358
Chemical ID:
7283358
Name [?]:
2-(3-bromophenyl)amino-N-(3-chlorophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CNc2cccc(c2)Br
InChi [?]:
InChI=1/C14H12BrClN2O/c15-10-3-1-5-12(7-10)17-9-14(19)18-13-6-2-4-11(16)8-13/h1-8,17H,9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:15,1,16,6,14,2,18,4,11,17,5,13,3,9,19,7,12,8,10/rA:19nCCCCCCClNCOCNCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12BrClN2O |
All Atoms: | 31 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9693 |
Area: | 493.568 |
Solvation: | -2.36992 |
Coulombic: | -33.9803 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 339.615 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.83 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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