Chemical ID: 4185613

CC(=O)NC(=Cc1ccc(cc1)Cl)C(=O)NC(C)(C)C
Chemical ID:
4185613
Name [?]:
2-acetamido-3-(4-chlorophenyl)-N-tert-butyl-prop-2-enamide
SMILES [?]:
CC(=O)NC(=Cc1ccc(cc1)Cl)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C15H19ClN2O2/c1-10(19)17-13(14(20)18-15(2,3)4)9-11-5-7-12(16)8-6-11/h5-9H,1-4H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,8,12,9,11,6,2,7,10,5,14,17,13,4,16,3,15/E:(2,3,4)(5,6)(7,8)/rA:20nCCONCCCCCCCCClCONCCCC/rB:s1;d2;s2;s4;w5;s6;s7;d8;s9;d10;d7s11;s10;s5;d14;s14;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19ClN2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.35201
Area:488.519
Solvation:-2.86096
Coulombic:-42.9692
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:294.776
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.2
LogP (Chemaxon):1.67

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