Chemical ID: 4379873

CCCN(CCC(=O)Nc1ccccc1F)CC2CC2
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

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Descriptor Annotations

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