Chemical ID: 5441429

c1ccc(cc1)NCC(=O)Nc2ccc(cc2)Br
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

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