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Chemical ID: 5876559

Cc1ccccc1NC(=O)NCCCN(c2ccc(cc2)Oc3ccccc3)C(=O)c4ccc(cc4)F

Chemical ID:

5876559

Name [?]:

4-fluoro-N-[3-(o-tolylcarbamoylamino)propyl]-N-(4-phenoxyphenyl)-benzamide

SMILES [?]:

Cc1ccccc1NC(=O)NCCCN(c2ccc(cc2)Oc3ccccc3)C(=O)c4ccc(cc4)F

InChi [?]:

InChI=1/C30H28FN3O3/c1-22-8-5-6-11-28(22)33-30(36)32-20-7-21-34(29(35)23-12-14-24(31)15-13-23)25-16-18-27(19-17-25)37-26-9-3-2-4-10-26/h2-6,8-19H,7,20-21H2,1H3,(H2,32,33,36)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,4,5,13,3,24,28,6,32,36,33,35,17,21,18,20,12,14,2,31,34,16,23,19,7,29,9,37,11,8,15,30,10,22/E:(3,4)(9,10)(12,13)(14,15)(16,17)(18,19)/rA:37nCCCCCCCNCONCCCNCCCCCCOCCCCCCCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s25;d26;d23s27;s15;d29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₈FN₃O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	13.8183
Area:	755.216
Solvation:	-5.06211
Coulombic:	-65.6184

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	497.56
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.07
LogP (Chemaxon):	5.48

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