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Chemical ID: 5876511

Cc1ccc(cc1)NC(=O)N(CCNC(=O)C(C)(C)C)c2ccc(cc2)F

Chemical ID:

5876511

Name [?]:

N-[2-[(4-fluorophenyl)-(p-tolylcarbamoyl)amino]ethyl]-2,2-dimethyl-propanamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)N(CCNC(=O)C(C)(C)C)c2ccc(cc2)F

InChi [?]:

InChI=1/C21H26FN3O2/c1-15-5-9-17(10-6-15)24-20(27)25(18-11-7-16(22)8-12-18)14-13-23-19(26)21(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,26)(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,18,19,20,3,7,23,25,4,6,22,26,13,12,2,24,5,21,15,9,17,27,14,8,11,16,10/E:(2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCNCONCCNCOCCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;d15;s15;s17;s17;s17;s11;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆FN₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3207
Area:	612.601
Solvation:	-3.99429
Coulombic:	-55.5309

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	371.449
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.47
LogP (Chemaxon):	4.77

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