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Chemical ID: 3960557

Chemical ID:

3960557

Name [?]:

N-(m-tolyl)-N'-phenyl-pyrrolidine-1,2-dicarboxamide

SMILES [?]:

Cc1cccc(c1)NC(=O)N2CCCC2C(=O)Nc3ccccc3

InChi [?]:

InChI=1/C19H21N3O2/c1-14-7-5-10-16(13-14)21-19(24)22-12-6-11-17(22)18(23)20-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,23)(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,4,13,3,20,24,5,14,12,7,2,19,6,15,16,9,18,8,11,17,10/E:(3,4)(8,9)/rA:24cCCCCCCCNCONCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁N₃O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	9.67532
Area:	537.329
Solvation:	-3.75791
Coulombic:	-51.4636

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	323.389
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.84
LogP (Chemaxon):	3.66

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