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Chemical ID: 6147262
Chemical ID:
6147262
Name [?]:
(4-methoxyphenyl)carbamoylmethyl 4-fluorobenzoate
SMILES [?]:
COc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H14FNO4/c1-21-14-8-6-13(7-9-14)18-15(19)10-22-16(20)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,21,18,20,5,7,4,8,12,16,19,6,3,10,14,22,9,11,15,2,13/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCOCCCCCCNCOCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FNO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35018 |
Area: | 507.218 |
Solvation: | -5.33027 |
Coulombic: | -51.2299 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 303.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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