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Chemical ID: 6305357

Chemical ID:

6305357

Name [?]:

3-(3-fluoro-4-methyl-phenyl)-1-(p-tolyl)urea

SMILES [?]:

Cc1ccc(cc1)NC(=O)Nc2ccc(c(c2)F)C

InChi [?]:

InChI=1/C15H15FN2O/c1-10-3-6-12(7-4-10)17-15(19)18-13-8-5-11(2)14(16)9-13/h3-9H,1-2H3,(H2,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,19,3,7,14,4,6,13,17,2,15,5,12,16,9,18,8,11,10/E:(3,4)(6,7)/rA:19nCCCCCCCNCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅FN₂O
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.57886
Area:	443.988
Solvation:	-2.52083
Coulombic:	-38.8782

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	258.291
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.31
LogP (Chemaxon):	4.58

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value