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Chemical ID: 5977231

c1ccc2c(c1)c(cc(n2)c3ccccc3F)C(=O)NCCc4ccc(cc4Cl)Cl

Chemical ID:

5977231

Name [?]:

N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)-quinoline-4-carboxamide

SMILES [?]:

c1ccc2c(c1)c(cc(n2)c3ccccc3F)C(=O)NCCc4ccc(cc4Cl)Cl

InChi [?]:

InChI=1/C24H17Cl2FN2O/c25-16-10-9-15(20(26)13-16)11-12-28-24(30)19-14-23(18-6-1-3-7-21(18)27)29-22-8-4-2-5-17(19)22/h1-10,13-14H,11-12H2,(H,28,30)

InChi Info:

AuxInfo=1/1/N:13,1,14,2,6,12,15,3,24,25,22,21,27,8,23,26,5,11,7,28,16,4,9,18,30,29,17,20,10,19/rA:30nCCCCCCCCCNCCCCCCFCONCCCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s16;s7;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₇Cl₂FN₂O
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5925
Area:	658.091
Solvation:	-3.85978
Coulombic:	-34.0966

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	439.308
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.83
LogP (Chemaxon):	6.32

Name Annotations

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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