Chemical ID: 5339569

CC(=O)c1cccc(c1)NC(=O)COC(=O)c2ccccc2I
Chemical ID:
5339569
Name [?]:
(3-acetylphenyl)carbamoylmethyl 2-iodobenzoate
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)COC(=O)c2ccccc2I
InChi [?]:
InChI=1/C17H14INO4/c1-11(20)12-5-4-6-13(9-12)19-16(21)10-23-17(22)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,5,7,18,21,9,13,2,4,8,17,22,11,15,23,10,3,12,16,14/rA:23nCCOCCCCCCNCOCOCOCCCCCCI/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14INO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.21877
Area:548.916
Solvation:-4.50413
Coulombic:-47.9784
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:423.202
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.6
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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