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Chemical ID: 4144613
Chemical ID:
4144613
Name [?]:
4-nitro-N-phenethyl-benzamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14N2O3/c18-15(13-6-8-14(9-7-13)17(19)20)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,17,14,16,7,8,4,12,15,10,9,18,11,19,20/E:(2,3)(4,5)(6,7)(8,9)(19,20)/CRV:17.5/rA:20nCCCCCCCCNCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.4818 |
Area: | 486.879 |
Solvation: | -7.69018 |
Coulombic: | -34.9181 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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