Chemical ID: 7498379

CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl
Chemical ID:
7498379
Name [?]:
N-(4-chlorophenyl)-4-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H16ClNO2/c1-11(2)20-15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14/h3-11H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,9,16,18,15,19,6,10,2,8,17,14,5,11,20,13,12,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:20nCCCOCCCCCCCONCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClNO2
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.65396
Area:495.437
Solvation:-2.73196
Coulombic:-30.7632
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.756
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):4.12

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