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Chemical ID: 5510808

CCN(CC)CCNC(=O)c1ccc(cc1)NC(=O)c2ccccc2c3ccc(cc3)C(F)(F)F

Chemical ID:

5510808

Name [?]:

N-(2-diethylaminoethyl)-4-[2-[4-(trifluoromethyl)phenyl]benzoyl]amino-benzamide

SMILES [?]:

CCN(CC)CCNC(=O)c1ccc(cc1)NC(=O)c2ccccc2c3ccc(cc3)C(F)(F)F

InChi [?]:

InChI=1/C27H28F3N3O2/c1-3-33(4-2)18-17-31-25(34)20-11-15-22(16-12-20)32-26(35)24-8-6-5-7-23(24)19-9-13-21(14-10-19)27(28,29)30/h5-16H,3-4,17-18H2,1-2H3,(H,31,34)(H,32,35)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,23,22,24,21,27,31,12,16,28,30,13,15,7,6,26,11,29,14,25,20,9,18,32,33,34,35,8,17,3,10,19/E:(1,2)(3,4)(9,10)(11,12)(13,14)(15,16)(28,29,30)/rA:35nCCNCCCCNCOCCCCCCNCOCCCCCCCCCCCCCFFF/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;d27;s28;d29;d26s30;s29;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₈F₃N₃O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	14.2293
Area:	732.717
Solvation:	-4.08865
Coulombic:	-69.706

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	12
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	483.525
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.96
LogP (Chemaxon):	5.23

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

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Chemical Mix	Source	External ID	Descriptor	Value