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Chemical ID: 4143957
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
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Experimental Annotations
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Descriptor Annotations
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