ChemDB: Chemical Search
Download
Chemical ID: 5934220
Chemical ID:
5934220
Name [?]:
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-benzamide
SMILES [?]:
CCCN(Cc1cccn1C)C(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C16H19ClN2O/c1-3-10-19(12-13-7-6-11-18(13)2)16(20)14-8-4-5-9-15(14)17/h4-9,11H,3,10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,16,17,8,7,15,18,3,9,5,6,14,19,12,20,10,4,13/rA:20nCCCNCCCCCNCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s10;s4;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19ClN2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13373 |
Area: | 457.637 |
Solvation: | -2.30719 |
Coulombic: | -24.541 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.788 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.31 |
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 |
---|