Chemical ID: 5934220

CCCN(Cc1cccn1C)C(=O)c2ccccc2Cl
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

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