Chemical ID: 5293021

CCC(C)C(C(=O)O)NC(=O)Nc1ccccc1F
Chemical ID:
5293021
Name [?]:
2-[(2-fluorophenyl)carbamoylamino]-3-methyl-pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)Nc1ccccc1F
InChi [?]:
InChI=1/C13H17FN2O3/c1-3-8(2)11(12(17)18)16-13(19)15-10-7-5-4-6-9(10)14/h4-8,11H,3H2,1-2H3,(H,17,18)(H2,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,4,2,16,15,17,14,3,18,13,5,6,10,19,12,9,7,8,11/E:(17,18)/rA:19cCCCCCCOONCONCCCCCCF/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17FN2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:8.25929
Area:455.139
Solvation:-3.11919
Coulombic:-66.9769
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:268.284
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.21
LogP (Chemaxon):2.18

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