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Chemical ID: 5878692

Cc1cccc(c1)NC(=O)NCCCN(c2ccc(cc2)F)C(=O)c3ccccc3

Chemical ID:

5878692

Name [?]:

N-(4-fluorophenyl)-N-[3-(m-tolylcarbamoylamino)propyl]benzamide

SMILES [?]:

Cc1cccc(c1)NC(=O)NCCCN(c2ccc(cc2)F)C(=O)c3ccccc3

InChi [?]:

InChI=1/C24H24FN3O2/c1-18-7-5-10-21(17-18)27-24(30)26-15-6-16-28(22-13-11-20(25)12-14-22)23(29)19-8-3-2-4-9-19/h2-5,7-14,17H,6,15-16H2,1H3,(H2,26,27,30)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,4,13,3,26,30,5,18,20,17,21,12,14,7,2,25,19,6,16,23,9,22,11,8,15,24,10/E:(3,4)(8,9)(11,12)(13,14)/rA:30nCCCCCCCNCONCCCNCCCCCCFCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s15;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄FN₃O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1546
Area:	642.02
Solvation:	-3.89594
Coulombic:	-57.7755

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	405.465
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.8
LogP (Chemaxon):	4.7

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