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Chemical ID: 6925356

CC(=NNC(=O)C1CCN(CC1)Cc2ccccc2Cl)c3ccc(cc3)Cl

Chemical ID:

6925356

Name [?]:

N-[1-(4-chlorophenyl)ethylideneamino]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide

SMILES [?]:

CC(=NNC(=O)C1CCN(CC1)Cc2ccccc2Cl)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C21H23Cl2N3O/c1-15(16-6-8-19(22)9-7-16)24-25-21(27)17-10-12-26(13-11-17)14-18-4-2-3-5-20(18)23/h2-9,17H,10-14H2,1H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,16,17,15,18,22,26,23,25,8,12,9,11,13,2,21,7,14,24,19,5,27,20,3,4,10,6/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCNNCOCCCNCCCCCCCCCClCCCCCCCl/rB:s1;w2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;s19;s2;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₃Cl₂N₃O
All Atoms:	50
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8991
Area:	639.016
Solvation:	-4.07631
Coulombic:	-25.3308

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	404.332
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.43
LogP (Chemaxon):	4.34

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value