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Chemical ID: 5776629
Chemical ID:
5776629
Name [?]:
4-methoxy-N-[2-(1-methylcyclopropyl)phenyl]-benzamide
SMILES [?]:
CC1(CC1)c2ccccc2NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H19NO2/c1-18(11-12-18)15-5-3-4-6-16(15)19-17(20)13-7-9-14(21-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,7,8,6,9,15,19,16,18,3,4,14,17,5,10,12,2,11,13,20/E:(7,8)(9,10)(11,12)/rA:21nCCCCCCCCCCNCOCCCCCCOC/rB:s1;s2;s2s3;s2;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03397 |
Area: | 479.208 |
Solvation: | -2.94622 |
Coulombic: | -30.6583 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.17 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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