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Chemical ID: 6618657
Chemical ID:
6618657
Name [?]:
N-(4-aminophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(cc2)N
InChi [?]:
InChI=1/C14H14N2O2/c1-18-13-8-2-10(3-9-13)14(17)16-12-6-4-11(15)5-7-12/h2-9H,15H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,7,14,16,13,17,4,8,6,15,12,3,9,18,11,10,2/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCOCCCCCCCONCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.54838 |
Area: | 435.06 |
Solvation: | -3.32812 |
Coulombic: | -45.3676 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.273 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.67 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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