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Chemical ID: 4379873
Chemical ID:
4379873
Name [?]:
3-(cyclopropylmethyl-propyl-amino)-N-(2-fluorophenyl)-propanamide
SMILES [?]:
CCCN(CCC(=O)Nc1ccccc1F)CC2CC2
InChi [?]:
InChI=1/C16H23FN2O/c1-2-10-19(12-13-7-8-13)11-9-16(20)18-15-6-4-3-5-14(15)17/h3-6,13H,2,7-12H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,14,11,19,20,6,3,5,17,18,15,10,7,16,9,4,8/E:(7,8)/rA:20cCCCNCCCONCCCCCCFCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s4;s17;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23FN2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.238 |
Area: | 509.442 |
Solvation: | -2.49806 |
Coulombic: | -30.7952 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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