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Chemical ID: 3960588

Chemical ID:

3960588

Name [?]:

N'-(o-tolyl)-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide

SMILES [?]:

Cc1ccccc1NC(=O)C2CCCN2C(=O)Nc3ccccc3F

InChi [?]:

InChI=1/C19H20FN3O2/c1-13-7-2-4-9-15(13)21-18(24)17-11-6-12-23(17)19(25)22-16-10-5-3-8-14(16)20/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,24)(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,4,22,5,21,13,3,23,6,20,12,14,2,24,7,19,11,9,16,25,8,18,15,10,17/rA:25cCCCCCCCNCOCCCCNCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀FN₃O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	9.41683
Area:	539.027
Solvation:	-4.05885
Coulombic:	-55.7334

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	341.38
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.79
LogP (Chemaxon):	2.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value