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Chemical ID: 5595017
Chemical ID:
5595017
Name [?]:
N-[3-(aminocarbamoyl)phenyl]-3-bromo-benzamide
SMILES [?]:
c1cc(cc(c1)NC(=O)c2cccc(c2)Br)C(=O)NN
InChi [?]:
InChI=1/C14H12BrN3O2/c15-11-5-1-3-9(7-11)13(19)17-12-6-2-4-10(8-12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:12,1,11,2,13,6,15,4,10,3,14,5,8,17,16,20,7,19,9,18/rA:20nCCCCCCNCOCCCCCCBrCONN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s3;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12BrN3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48668 |
Area: | 482.368 |
Solvation: | -3.57251 |
Coulombic: | -49.9087 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.168 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 2.2 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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