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Chemical ID: 4351637
Chemical ID:
4351637
Name [?]:
N-(3-iodophenyl)-3-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2cccc(c2)I
InChi [?]:
InChI=1/C15H14INO/c16-13-7-4-8-14(11-13)17-15(18)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,15,13,7,8,17,4,16,12,9,18,11,10/E:(2,3)(5,6)/rA:18nCCCCCCCCCONCCCCCCI/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14INO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96898 |
Area: | 477.82 |
Solvation: | -1.97651 |
Coulombic: | -22.1754 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 351.182 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.04 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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