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Chemical ID: 7147010

Chemical ID:

7147010

Name [?]:

3-[(4-fluorophenyl)methyl]-1-(p-tolyl)urea

SMILES [?]:

Cc1ccc(cc1)NC(=O)NCc2ccc(cc2)F

InChi [?]:

InChI=1/C15H15FN2O/c1-11-2-8-14(9-3-11)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,3,7,14,18,15,17,4,6,12,2,13,16,5,9,19,11,8,10/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCCCCCCNCONCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅FN₂O
All Atoms:	34
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.70017
Area:	457.442
Solvation:	-2.73587
Coulombic:	-39.9697

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	258.291
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.22
LogP (Chemaxon):	3.73

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