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Chemical ID: 5175078
Chemical ID:
5175078
Name [?]:
N-[4-chloro-2-(diethylcarbamoyl)phenyl]furan-2-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cc(ccc1NC(=O)c2ccco2)Cl
InChi [?]:
InChI=1/C16H17ClN2O3/c1-3-19(4-2)16(21)12-10-11(17)7-8-13(12)18-15(20)14-6-5-9-22-14/h5-10H,3-4H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,19,18,11,12,20,9,10,8,13,17,15,6,22,14,3,16,7,21/E:(1,2)(3,4)/rA:22nCCNCCCOCCCCCCNCOCCCCOCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;d17;s18;d19;s17s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1753 |
Area: | 521.63 |
Solvation: | -2.86545 |
Coulombic: | -47.742 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 320.771 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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