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Chemical ID: 5892760

COCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)C(c3ccccc3)Cl

Chemical ID:

5892760

Name [?]:

5-(2-chloro-2-phenyl-acetyl)amino-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide

SMILES [?]:

COCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)C(c3ccccc3)Cl

InChi [?]:

InChI=1/C22H26ClN3O3/c1-29-14-11-24-21(27)18-15-17(9-10-19(18)26-12-5-6-13-26)25-22(28)20(23)16-7-3-2-4-8-16/h2-4,7-10,15,20H,5-6,11-14H2,1H3,(H,24,27)(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,16,17,24,28,11,12,4,15,18,3,9,23,10,8,13,22,6,20,29,5,19,14,7,21,2/E:(3,4)(5,6)(7,8)(12,13)/rA:29cCOCCNCOCCCCCCNCCCCNCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s14s17;s10;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6582
Area:	658.339
Solvation:	-5.80029
Coulombic:	-56.6747

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	415.913
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.93
LogP (Chemaxon):	3.26

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value