Chemical ID: 5400486

CN(C)c1cccc(c1)C(=O)NCc2ccccc2Cl
Chemical ID:
5400486
Name [?]:
N-[(2-chlorophenyl)methyl]-3-dimethylamino-benzamide
SMILES [?]:
CN(C)c1cccc(c1)C(=O)NCc2ccccc2Cl
InChi [?]:
InChI=1/C16H17ClN2O/c1-19(2)14-8-5-7-12(10-14)16(20)18-11-13-6-3-4-9-15(13)17/h3-10H,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,6,15,7,5,18,9,13,8,14,4,19,10,20,12,2,11/E:(1,2)/rA:20nCNCCCCCCCCONCCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17ClN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.2504
Area:496.278
Solvation:-2.15656
Coulombic:-30.6642
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:288.772
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.97
LogP (Chemaxon):3.5

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