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Chemical ID: 6617828
Chemical ID:
6617828
Name [?]:
N-(4-amino-2-methoxy-phenyl)-2,4-dichloro-benzamide
SMILES [?]:
COc1cc(ccc1NC(=O)c2ccc(cc2Cl)Cl)N
InChi [?]:
InChI=1/C14H12Cl2N2O2/c1-20-13-7-9(17)3-5-12(13)18-14(19)10-4-2-8(15)6-11(10)16/h2-7H,17H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,6,13,7,16,4,15,5,12,17,8,3,10,19,18,20,9,11,2/rA:20nCOCCCCCCNCOCCCCCCClClN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12Cl2N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1427 |
Area: | 488.475 |
Solvation: | -3.06919 |
Coulombic: | -46.0357 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.163 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.91 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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