Chemical ID: 4288719

CCCCOc1ccc(cc1)CNc2ccc(c(c2)Cl)F
Chemical ID:
4288719
Name [?]:
N-[(4-butoxyphenyl)methyl]-3-chloro-4-fluoro-aniline
SMILES [?]:
CCCCOc1ccc(cc1)CNc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C17H19ClFNO/c1-2-3-10-21-15-7-4-13(5-8-15)12-20-14-6-9-17(19)16(18)11-14/h4-9,11,20H,2-3,10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,15,7,11,16,4,19,12,9,14,6,18,17,20,21,13,5/E:(4,5)(7,8)/rA:21nCCCCOCCCCCCCNCCCCCCClF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19ClFNO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0488
Area:532.064
Solvation:-3.2528
Coulombic:-25.2881
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.79
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.43
LogP (Chemaxon):5.01

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