Chemical ID: 5336101

c1ccc(c(c1)C(=O)NC2CN3CCC2CC3)I
Chemical ID:
5336101
Name [?]:
2-iodo-N-quinuclidin-3-yl-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CN3CCC2CC3)I
InChi [?]:
InChI=1/C14H17IN2O/c15-12-4-2-1-3-11(12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,16,13,17,11,15,5,4,10,7,18,9,12,8/E:(5,6)(7,8)/rA:18cCCCCCCCONCCNCCCCCI/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s15;s12s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17IN2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.02734
Area:439.237
Solvation:-1.95359
Coulombic:-27.5481
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:356.202
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.91
LogP (Chemaxon):2.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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