Chemical ID: 4478639

CN(C)CCCNC(=O)c1cc(ccc1Cl)Br
Chemical ID:
4478639
Name [?]:
5-bromo-2-chloro-N-(3-dimethylaminopropyl)benzamide
SMILES [?]:
CN(C)CCCNC(=O)c1cc(ccc1Cl)Br
InChi [?]:
InChI=1/C12H16BrClN2O/c1-16(2)7-3-6-15-12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,3,6-7H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,5,13,14,6,4,11,12,10,15,8,17,16,7,2,9/E:(1,2)/rA:17nCNCCCCNCOCCCCCCClBr/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16BrClN2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.56248
Area:475.25
Solvation:-2.31876
Coulombic:-27.0983
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.625
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.06
LogP (Chemaxon):2.29

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