ChemDB: Chemical Search
Download
Chemical ID: 4238769
Chemical ID:
4238769
Name [?]:
N-[4-chloro-2-(ethylcarbamoyl)phenyl]furan-2-carboxamide
SMILES [?]:
CCNC(=O)c1cc(ccc1NC(=O)c2ccco2)Cl
InChi [?]:
InChI=1/C14H13ClN2O3/c1-2-16-13(18)10-8-9(15)5-6-11(10)17-14(19)12-4-3-7-20-12/h3-8H,2H2,1H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,9,10,18,7,8,6,11,15,4,13,20,3,12,5,14,19/rA:20nCCNCOCCCCCCNCOCCCCOCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;d15;s16;d17;s15s18;s8;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClN2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26368 |
Area: | 486.344 |
Solvation: | -2.89493 |
Coulombic: | -51.914 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.717 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.46 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|