Chemical ID: 6874209

CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2F
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

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Descriptor Annotations

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