Chemical ID: 6177386

c1cc(cc(c1)Br)NC(=O)c2ccc(cc2F)Br
Chemical ID:
6177386
Name [?]:
4-bromo-N-(3-bromophenyl)-2-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)c2ccc(cc2F)Br
InChi [?]:
InChI=1/C13H8Br2FNO/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,2,13,12,4,15,5,14,3,11,16,9,7,18,17,8,10/rA:18nCCCCCCBrNCOCCCCCCFBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Br2FNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.88082
Area:442.727
Solvation:-3.18736
Coulombic:-24.9804
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:373.015
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.75
LogP (Chemaxon):4.83

Name Annotations

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Descriptor Annotations

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