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Chemical ID: 5648462
Chemical ID:
5648462
Name [?]:
5-chloro-2-nitro-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C15H13ClN2O3/c1-10(11-5-3-2-4-6-11)17-15(19)13-9-12(16)7-8-14(13)18(20)21/h2-10H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,15,16,13,2,3,14,12,17,10,21,9,18,11,19,20/E:(3,4)(5,6)(20,21)/CRV:18.5/rA:21cCCCCCCCCNCOCCCCCCN+OO-Cl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 3.54882 |
Area: | 496.311 |
Solvation: | -8.85897 |
Coulombic: | -31.6504 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.728 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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