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Chemical ID: 3941346

Chemical ID:

3941346

Name [?]:

N-(4-chlorophenyl)-N'-cyclopentyl-pyrrolidine-1,2-dicarboxamide

SMILES [?]:

c1cc(ccc1NC(=O)N2CCCC2C(=O)NC3CCCC3)Cl

InChi [?]:

InChI=1/C17H22ClN3O2/c18-12-7-9-14(10-8-12)20-17(23)21-11-3-6-15(21)16(22)19-13-4-1-2-5-13/h7-10,13,15H,1-6,11H2,(H,19,22)(H,20,23)

InChi Info:

AuxInfo=1/1/N:20,21,12,19,22,13,2,4,1,5,11,3,18,6,14,15,8,23,17,7,10,16,9/E:(1,2)(4,5)(7,8)(9,10)/rA:23cCCCCCCNCONCCCCCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₂ClN₃O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	10.337
Area:	544.827
Solvation:	-3.28367
Coulombic:	-51.7814

Bond Count [?]

All:	25
Single:	20
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	335.828
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.72
LogP (Chemaxon):	2.74

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value