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Chemical ID: 5400486
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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