Chemical ID: 5630071

c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)Oc3cccnc3)N
Chemical ID:
5630071
Name [?]:
N-[3-amino-5-(3-pyridyloxy)phenyl]-3-chloro-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)Oc3cccnc3)N
InChi [?]:
InChI=1/C18H14ClN3O2/c19-13-4-1-3-12(7-13)18(23)22-15-8-14(20)9-17(10-15)24-16-5-2-6-21-11-16/h1-11H,20H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,2,6,19,21,4,12,14,16,23,3,5,13,11,18,15,8,7,24,22,10,9,17/rA:24nCCCCCCClCONCCCCCCOCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;d19;s20;d21;d18s22;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClN3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.293
Area:546.897
Solvation:-3.37941
Coulombic:-50.938
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.775
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.03
LogP (Chemaxon):2.95

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