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Chemical ID: 4203848
Chemical ID:
4203848
Name [?]:
3-(3,4-dichlorophenyl)-1-[(4-methoxyphenyl)methyl]urea
SMILES [?]:
COc1ccc(cc1)CNC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C15H14Cl2N2O2/c1-21-12-5-2-10(3-6-12)9-18-15(20)19-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,7,15,4,8,16,19,9,6,14,3,17,18,11,21,20,10,13,12,2/E:(2,3)(5,6)/rA:21nCOCCCCCCCNCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14Cl2N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98832 |
Area: | 529.963 |
Solvation: | -3.26074 |
Coulombic: | -43.4464 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.189 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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