Chemical ID: 6602843

CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Br
Chemical ID:
6602843
Name [?]:
(3-bromophenyl)carbamoylmethyl 4-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C17H15BrN2O4/c1-11(21)19-14-7-5-12(6-8-14)17(23)24-10-16(22)20-15-4-2-3-13(18)9-15/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,7,9,6,10,23,14,2,8,22,5,18,15,11,24,4,17,3,16,12,13/E:(5,6)(7,8)/rA:24nCCONCCCCCCCOOCCONCCCCCCBr/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15BrN2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.80704
Area:568.645
Solvation:-4.40908
Coulombic:-59.6834
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.216
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.75
LogP (Chemaxon):2.79

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