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Chemical ID: 4324261
Chemical ID:
4324261
Name [?]:
2-[2-(4-nitrophenoxy)acetyl]aminobenzamide
SMILES [?]:
c1ccc(c(c1)C(=O)N)NC(=O)COc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13N3O5/c16-15(20)12-3-1-2-4-13(12)17-14(19)9-23-11-7-5-10(6-8-11)18(21)22/h1-8H,9H2,(H2,16,20)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,19,16,20,13,18,15,5,4,11,7,9,10,21,12,8,22,23,14/E:(5,6)(7,8)(21,22)/CRV:18.5/rA:23nCCCCCCCONNCOCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N3O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.77779 |
Area: | 517.249 |
Solvation: | -10.1534 |
Coulombic: | -64.8344 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.281 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 1.76 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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