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Chemical ID: 6147268
Chemical ID:
6147268
Name [?]:
(4-ethoxyphenyl)carbamoylmethyl 4-fluorobenzoate
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C17H16FNO4/c1-2-22-15-9-7-14(8-10-15)19-16(20)11-23-17(21)12-3-5-13(18)6-4-12/h3-10H,2,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,22,19,21,6,8,5,9,13,17,20,7,4,11,15,23,10,12,16,3,14/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCOCCCCCCNCOCOCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16FNO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.15582 |
Area: | 534.287 |
Solvation: | -5.20136 |
Coulombic: | -51.4944 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 317.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.19 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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