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Chemical ID: 6644362

Chemical ID:

6644362

Name [?]:

2-(4-butylphenoxy)-N-[(4-chlorophenyl)methyleneamino]acetamide

SMILES [?]:

CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)Cl

InChi [?]:

InChI=1/C19H21ClN2O2/c1-2-3-4-15-7-11-18(12-8-15)24-14-19(23)22-21-13-16-5-9-17(20)10-6-16/h5-13H,2-4,14H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,19,23,6,10,20,22,7,9,17,12,5,18,21,8,13,24,16,15,14,11/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCCCCCCCCCOCCONNCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁ClN₂O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.69036
Area:	600.675
Solvation:	-5.32652
Coulombic:	-27.8489

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	344.835
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.34
LogP (Chemaxon):	5.19

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