Chemical ID: 6344685

Cc1ccc(cc1)CNC(=O)CCCCl
Chemical ID:
6344685
Name [?]:
4-chloro-N-(p-tolylmethyl)butanamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)CCCCl
InChi [?]:
InChI=1/C12H16ClNO/c1-10-4-6-11(7-5-10)9-14-12(15)3-2-8-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,13,12,3,7,4,6,14,8,2,5,10,15,9,11/E:(4,5)(6,7)/rA:15nCCCCCCCCNCOCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.7837
Area:441.398
Solvation:-2.25126
Coulombic:-21.8324
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.714
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.81
LogP (Chemaxon):2.48

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