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Chemical ID: 5727358

c1ccc(cc1)c2ccc(cc2)c3cc(c4ccccc4n3)C(=O)Nc5ccc(c(c5)Cl)F

Chemical ID:

5727358

Name [?]:

N-(3-chloro-4-fluoro-phenyl)-2-(4-phenylphenyl)-quinoline-4-carboxamide

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)c3cc(c4ccccc4n3)C(=O)Nc5ccc(c(c5)Cl)F

InChi [?]:

InChI=1/C28H18ClFN2O/c29-24-16-21(14-15-25(24)30)31-28(33)23-17-27(32-26-9-5-4-8-22(23)26)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H,(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,8,12,9,11,27,28,31,14,4,7,10,26,16,15,30,29,21,13,23,32,33,25,22,24/E:(2,3)(6,7)(10,11)(12,13)/rA:33nCCCCCCCCCCCCCCCCCCCCCNCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s15;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₁₈ClFN₂O
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3556
Area:	679.599
Solvation:	-3.63441
Coulombic:	-34.6167

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	452.906
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	7.85
LogP (Chemaxon):	7.62

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

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Chemical Mix	Source	External ID	Descriptor	Value