Chemical ID: 4441430

Cc1cc(c(c(c1)OCC(=O)Nc2ccccc2C(=O)N)C)C
Chemical ID:
4441430
Name [?]:
2-[2-(2,3,5-trimethylphenoxy)acetyl]aminobenzamide
SMILES [?]:
Cc1cc(c(c(c1)OCC(=O)Nc2ccccc2C(=O)N)C)C
InChi [?]:
InChI=1/C18H20N2O3/c1-11-8-12(2)13(3)16(9-11)23-10-17(21)20-15-7-5-4-6-14(15)18(19)22/h4-9H,10H2,1-3H3,(H2,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,16,15,17,14,3,7,9,2,4,5,18,13,6,10,19,21,12,11,20,8/rA:23nCCCCCCCOCCONCCCCCCCONCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.8818
Area:525.632
Solvation:-4.25899
Coulombic:-54.7495
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.363
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.09
LogP (Chemaxon):3.58

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Descriptor Annotations

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