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Chemical ID: 5876861

Cc1ccccc1NC(=O)N(CCNC(=O)Nc2ccccc2F)c3ccc(cc3)F

Chemical ID:

5876861

Name [?]:

1-(4-fluorophenyl)-1-[2-[(2-fluorophenyl)carbamoylamino]ethyl]-3-(o-tolyl)urea

SMILES [?]:

Cc1ccccc1NC(=O)N(CCNC(=O)Nc2ccccc2F)c3ccc(cc3)F

InChi [?]:

InChI=1/C23H22F2N4O2/c1-16-6-2-4-8-20(16)28-23(31)29(18-12-10-17(24)11-13-18)15-14-26-22(30)27-21-9-5-3-7-19(21)25/h2-13H,14-15H2,1H3,(H,28,31)(H2,26,27,30)

InChi Info:

AuxInfo=1/1/N:1,4,21,5,20,3,22,6,19,27,29,26,30,13,12,2,28,25,23,7,18,15,9,31,24,14,17,8,11,16,10/E:(10,11)(12,13)/rA:31nCCCCCCCNCONCCNCONCCCCCCFCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s11;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂F₂N₄O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4673
Area:	645.487
Solvation:	-4.66985
Coulombic:	-73.7849

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	424.443
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	3.88
LogP (Chemaxon):	3.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value