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Chemical ID: 6874209
Chemical ID:
6874209
Name [?]:
(2-fluorophenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C17H16FNO4/c1-2-22-13-9-7-12(8-10-13)17(21)23-11-16(20)19-15-6-4-3-5-14(15)18/h3-10H,2,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,18,6,8,5,9,13,7,4,22,17,14,10,23,16,15,11,3,12/E:(7,8)(9,10)/rA:23nCCOCCCCCCCOOCCONCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16FNO4 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.55214 |
Area: | 533.415 |
Solvation: | -4.78323 |
Coulombic: | -52.8761 |
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): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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