Chemical ID: 6493389

CCN1CCCC1CNC(=O)c2ccccc2Br
Chemical ID:
6493389
Name [?]:
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
SMILES [?]:
CCN1CCCC1CNC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C14H19BrN2O/c1-2-17-9-5-6-11(17)10-16-14(18)12-7-3-4-8-13(12)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,5,6,13,16,4,8,7,12,17,10,18,9,3,11/rA:18cCCNCCCCCNCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19BrN2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:9.22681
Area:452.649
Solvation:-2.08941
Coulombic:-27.8389
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.218
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):2.45

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Descriptor Annotations

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