ChemDB: Chemical Search
Download
Chemical ID: 6529076
Chemical ID:
6529076
Name [?]:
N-(2,5-dichloro-4-cyclopropylcarbonylamino-phenyl)cyclopropanecarboxamide
SMILES [?]:
c1c(c(cc(c1Cl)NC(=O)C2CC2)Cl)NC(=O)C3CC3
InChi [?]:
InChI=1/C14H14Cl2N2O2/c15-9-6-12(18-14(20)8-3-4-8)10(16)5-11(9)17-13(19)7-1-2-7/h5-8H,1-4H2,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:12,13,19,20,4,1,11,18,6,3,5,2,9,16,7,14,8,15,10,17/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/gE:(1,2)/rA:20nCCCCCCClNCOCCCClNCOCCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;d9;s9;s11;s11s12;s3;s2;s15;d16;s16;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14Cl2N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3095 |
Area: | 506.83 |
Solvation: | -2.3612 |
Coulombic: | -40.7297 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.179 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.76 |
LogP (Chemaxon): | 1.81 |
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 |
---|