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Chemical ID: 4407520
Chemical ID:
4407520
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-5-(2-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ccc(c(c3)Cl)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H10ClFN2O4/c18-12-9-10(5-6-13(12)19)20-17(22)16-8-7-15(25-16)11-3-1-2-4-14(11)21(23)24/h1-9H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,8,9,20,15,5,19,18,4,7,10,12,21,22,14,23,13,24,25,11/E:(23,24)/CRV:21.5/rA:25nCCCCCCCCCCOCONCCCCCCClFN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;s4;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10ClFN2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.82504 |
Area: | 536.518 |
Solvation: | -8.58791 |
Coulombic: | -44.9894 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.723 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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