Chemical ID: 6814403

c1ccc2c(c1)cccc2NC(=O)COc3cccc(c3)Br
Chemical ID:
6814403
Name [?]:
2-(3-bromophenoxy)-N-(1-naphthyl)acetamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)COc3cccc(c3)Br
InChi [?]:
InChI=1/C18H14BrNO2/c19-14-7-4-8-15(11-14)22-12-18(21)20-17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,18,6,7,19,17,3,9,21,14,5,20,16,4,10,12,22,11,13,15/rA:22nCCCCCCCCCCNCOCOCCCCCCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14BrNO2
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.64914
Area:508.895
Solvation:-4.07325
Coulombic:-30.1024
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.213
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):4.67

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Descriptor Annotations

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