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Chemical ID: 5441429
Chemical ID:
5441429
Name [?]:
2-anilino-N-(4-bromophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)NCC(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H13BrN2O/c15-11-6-8-13(9-7-11)17-14(18)10-16-12-4-2-1-3-5-12/h1-9,16H,10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,16,13,17,8,15,4,12,9,18,7,11,10/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCNCCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13BrN2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00247 |
Area: | 458.224 |
Solvation: | -2.45314 |
Coulombic: | -33.8405 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 305.17 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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