Chemical ID: 6528261

CNc1ccccc1C(=O)NCc2ccc3c(c2)OCO3
Chemical ID:
6528261
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-methylamino-benzamide
SMILES [?]:
CNc1ccccc1C(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C16H16N2O3/c1-17-13-5-3-2-4-12(13)16(19)18-9-11-6-7-14-15(8-11)21-10-20-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,14,15,18,12,20,13,8,3,16,17,9,2,11,10,21,19/rA:21nCNCCCCCCCONCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.54153
Area:485.338
Solvation:-3.59192
Coulombic:-51.0719
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.31
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.97
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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