Chemical ID: 4357554

CCOC(=O)C(c1ccccc1)Nc2cccc(c2)F
Chemical ID:
4357554
Name [?]:
ethyl 2-(3-fluorophenyl)amino-2-phenyl-acetate
SMILES [?]:
CCOC(=O)C(c1ccccc1)Nc2cccc(c2)F
InChi [?]:
InChI=1/C16H16FNO2/c1-2-20-16(19)15(12-7-4-3-5-8-12)18-14-10-6-9-13(17)11-14/h3-11,15,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,16,8,12,17,15,19,7,18,14,6,4,20,13,5,3/E:(4,5)(7,8)/rA:20cCCOCOCCCCCCCNCCCCCCF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s6;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16FNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.79875
Area:471.571
Solvation:-2.99053
Coulombic:-37.7271
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.302
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.53
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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