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Chemical ID: 6739528

Chemical ID:

6739528

Name [?]:

N-benzyl-3-(2-oxopyrrolidin-1-yl)-benzamide

SMILES [?]:

c1ccc(cc1)CNC(=O)c2cccc(c2)N3CCCC3=O

InChi [?]:

InChI=1/C18H18N2O2/c21-17-10-5-11-20(17)16-9-4-8-15(12-16)18(22)19-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,2,6,13,19,3,5,12,14,20,18,16,7,4,11,15,21,9,8,17,22,10/E:(2,3)(6,7)/rA:22nCCCCCCCNCOCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s18;s19;s17s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₂
All Atoms:	40
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.3089
Area:	505.968
Solvation:	-3.3403
Coulombic:	-38.4195

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	294.348
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.51
LogP (Chemaxon):	1.96

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