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Chemical ID: 5874199

CCC(C)N(CCC(=O)NC(C)c1ccccc1)C(=O)Nc2cccc(c2)C(F)(F)F

Chemical ID:

5874199

Name [?]:

N-(1-phenylethyl)-3-[sec-butyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-propanamide

SMILES [?]:

CCC(C)N(CCC(=O)NC(C)c1ccccc1)C(=O)Nc2cccc(c2)C(F)(F)F

InChi [?]:

InChI=1/C23H28F3N3O2/c1-4-16(2)29(14-13-21(30)27-17(3)18-9-6-5-7-10-18)22(31)28-20-12-8-11-19(15-20)23(24,25)26/h5-12,15-17H,4,13-14H2,1-3H3,(H,27,30)(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,4,12,2,16,15,17,24,14,18,25,23,7,6,27,3,11,13,26,22,8,19,28,29,30,31,10,21,5,9,20/E:(6,7)(9,10)(24,25,26)/rA:31cCCCCNCCCONCCCCCCCCCONCCCCCCCFFF/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;s11;s13;d14;s15;d16;d13s17;s5;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈F₃N₃O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	2

ZAP Information [?]

Total:	13.0837
Area:	672.268
Solvation:	-3.72304
Coulombic:	-71.2905

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	435.483
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.79
LogP (Chemaxon):	5.0

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value