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Chemical ID: 6631070

c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)CNC(=O)c3ccc(cc3)Cl

Chemical ID:

6631070

Name [?]:

4-chloro-N-[(3-phenoxyphenyl)methyleneaminocarbamoylmethyl]benzamide

SMILES [?]:

c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)CNC(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H18ClN3O3/c23-18-11-9-17(10-12-18)22(28)24-15-21(27)26-25-14-16-5-4-8-20(13-16)29-19-6-2-1-3-7-19/h1-14H,15H2,(H,24,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,10,11,3,5,9,24,28,25,27,13,14,19,12,23,26,4,8,17,21,29,20,15,16,18,22,7/E:(2,3)(6,7)(9,10)(11,12)/rA:29nCCCCCCOCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;w14;s15;s16;d17;s17;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4638
Area:	656.996
Solvation:	-4.96107
Coulombic:	-50.2892

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	407.849
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.27
LogP (Chemaxon):	4.11

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