Chemical ID: 5934250

CCCCN(Cc1cccn1C)C(=O)c2ccccc2Cl
Chemical ID:
5934250
Name [?]:
N-butyl-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILES [?]:
CCCCN(Cc1cccn1C)C(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C17H21ClN2O/c1-3-4-12-20(13-14-8-7-11-19(14)2)17(21)15-9-5-6-10-16(15)18/h5-11H,3-4,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,3,17,18,9,8,16,19,10,4,6,7,15,20,13,21,11,5,14/rA:21nCCCCNCCCCCNCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;s5;d13;s13;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21ClN2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.71167
Area:481.355
Solvation:-2.32219
Coulombic:-24.8525
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.814
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.36
LogP (Chemaxon):3.71

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Descriptor Annotations

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