Chemical ID: 7260330

CN(CC(=O)Nc1ccc(cc1)Br)CC(=O)Nc2cc(ccc2OC)Cl
Chemical ID:
7260330
Name [?]:
N-(4-bromophenyl)-2-[(5-chloro-2-methoxy-phenyl)carbamoylmethyl-methyl-amino]-acetamide
SMILES [?]:
CN(CC(=O)Nc1ccc(cc1)Br)CC(=O)Nc2cc(ccc2OC)Cl
InChi [?]:
InChI=1/C18H19BrClN3O3/c1-23(10-17(24)21-14-6-3-12(19)4-7-14)11-18(25)22-15-9-13(20)5-8-16(15)26-2/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,25,9,11,21,8,12,22,19,3,14,10,20,7,18,23,4,15,13,26,6,17,2,5,16,24/E:(3,4)(6,7)/rA:26cCNCCONCCCCCCBrCCONCCCCCCOCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s2;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19BrClN3O3
All Atoms:45
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.6859
Area:614.947
Solvation:-5.68778
Coulombic:-52.7937
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:440.719
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.87
LogP (Chemaxon):3.38

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