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Chemical ID: 5852395

Chemical ID:

5852395

Name [?]:

N-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide

SMILES [?]:

c1ccc(cc1)N2CC(CC2=O)C(=O)NCc3ccccc3Cl

InChi [?]:

InChI=1/C18H17ClN2O2/c19-16-9-5-4-6-13(16)11-20-18(23)14-10-17(22)21(12-14)15-7-2-1-3-8-15/h1-9,14H,10-12H2,(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,2,6,19,20,18,3,5,21,10,16,8,17,9,4,22,11,13,23,15,7,12,14/E:(2,3)(7,8)/rA:23cCCCCCCNCCCCOCONCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;d11;s9;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇ClN₂O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	10.0925
Area:	534.494
Solvation:	-3.26989
Coulombic:	-37.5173

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	328.793
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.57
LogP (Chemaxon):	2.44

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