Chemical ID: 4731571

CC(C)c1cccc(c1O)NC(=O)C(C(C)C)Br
Chemical ID:
4731571
Name [?]:
2-bromo-N-(2-hydroxy-3-isopropyl-phenyl)-3-methyl-butanamide
SMILES [?]:
CC(C)c1cccc(c1O)NC(=O)C(C(C)C)Br
InChi [?]:
InChI=1/C14H20BrNO2/c1-8(2)10-6-5-7-11(13(10)17)16-14(18)12(15)9(3)4/h5-9,12,17H,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,6,5,7,2,15,4,8,14,9,12,18,11,10,13/E:(1,2)(3,4)/rA:18cCCCCCCCCCONCOCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s8;s11;d12;s12;s14;s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20BrNO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.34606
Area:463.846
Solvation:-2.25009
Coulombic:-39.0362
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.218
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.02
LogP (Chemaxon):4.34

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