Chemical ID: 4104516

Cc1c2ccccc2oc1C(=O)NCc3ccc(cc3)OC
Chemical ID:
4104516
Name [?]:
N-[(4-methoxyphenyl)methyl]-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2ccccc2oc1C(=O)NCc3ccc(cc3)OC
InChi [?]:
InChI=1/C18H17NO3/c1-12-15-5-3-4-6-16(15)22-17(12)18(20)19-11-13-7-9-14(21-2)10-8-13/h3-10H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,5,6,4,7,16,20,17,19,14,2,15,18,3,8,10,11,13,12,21,9/E:(7,8)(9,10)/rA:22nCCCCCCCCOCCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.41997
Area:505.488
Solvation:-3.21724
Coulombic:-40.3171
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.333
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.25
LogP (Chemaxon):3.28

Name Annotations

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Descriptor Annotations

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