Chemical ID: 4143957

c1ccc(cc1)C(c2ccccc2)NC(=O)COc3ccccc3[N+](=O)[O-]
Chemical ID:
4143957
Name [?]:
N-benzhydryl-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)NC(=O)COc3ccccc3[N+](=O)[O-]
InChi [?]:
InChI=1/C21H18N2O4/c24-20(15-27-19-14-8-7-13-18(19)23(25)26)22-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,22,21,3,5,9,13,23,20,17,4,8,24,19,15,7,14,25,16,26,27,18/E:(1,2)(3,4,5,6)(9,10,11,12)(16,17)(25,26)/CRV:23.5/rA:27nCCCCCCCCCCCCCNCOCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:2.07312
Area:585.24
Solvation:-12.5579
Coulombic:-40.7025
Bond Count [?]
All:29
Single:18
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:362.379
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.16
LogP (Chemaxon):4.29

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue