Chemical ID: 5672698

c1ccc(cc1)Oc2cccc(c2)CNC(=O)c3ccc(cc3)N(=O)=O
Chemical ID:
5672698
Name [?]:
4-nitro-N-[(3-phenoxyphenyl)methyl]benzamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)CNC(=O)c3ccc(cc3)N(=O)=O
InChi [?]:
InChI=1/C20H16N2O4/c23-20(16-9-11-17(12-10-16)22(24)25)21-14-15-5-4-8-19(13-15)26-18-6-2-1-3-7-18/h1-13H,14H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,3,5,9,19,23,20,22,13,14,12,18,21,4,8,16,15,24,17,25,26,7/E:(2,3)(6,7)(9,10)(11,12)(24,25)/CRV:22.5/rA:26nCCCCCCOCCCCCCCNCOCCCCCCNOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.95447
Area:577.775
Solvation:-8.48991
Coulombic:-43.2063
Bond Count [?]
All:28
Single:16
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:348.352
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.51
LogP (Chemaxon):4.1

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Descriptor Annotations

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