Chemical ID: 6182201

c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2ccc(cc2)Br)C(F)(F)F
Chemical ID:
6182201
Name [?]:
N-[(4-bromophenyl)methyleneaminocarbamoylmethyl]-2-(trifluoromethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2ccc(cc2)Br)C(F)(F)F
InChi [?]:
InChI=1/C17H13BrF3N3O2/c18-12-7-5-11(6-8-12)9-23-24-15(25)10-22-16(26)13-3-1-2-4-14(13)17(19,20)21/h1-9H,10H2,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,21,18,20,15,10,16,19,5,4,11,7,23,22,24,25,26,9,14,13,12,8/E:(5,6)(7,8)(19,20,21)/rA:26nCCCCCCCONCCONNCCCCCCCBrCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrF3N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.11354
Area:563.91
Solvation:-4.98421
Coulombic:-59.0059
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:428.203
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.89
LogP (Chemaxon):3.84

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