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Chemical ID: 5762052
Chemical ID:
5762052
Name [?]:
4-methoxy-N-phenyl-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C14H13NO2/c1-17-13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,5,7,4,8,6,12,3,9,11,10,2/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCOCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31447 |
Area: | 415.452 |
Solvation: | -3.07182 |
Coulombic: | -30.0083 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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