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Chemical ID: 6394476

Chemical ID:

6394476

Name [?]:

N-(4-acetylphenyl)-4-(4-chloro-2-methyl-phenoxy)-butanamide

SMILES [?]:

Cc1cc(ccc1OCCCC(=O)Nc2ccc(cc2)C(=O)C)Cl

InChi [?]:

InChI=1/C19H20ClNO3/c1-13-12-16(20)7-10-18(13)24-11-3-4-19(23)21-17-8-5-15(6-9-17)14(2)22/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,23,10,11,17,19,5,16,20,6,9,3,2,21,18,4,15,7,12,24,14,22,13,8/E:(5,6)(8,9)/rA:24nCCCCCCCOCCCCONCCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀ClNO₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.96481
Area:	587.696
Solvation:	-4.72758
Coulombic:	-34.9661

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	345.82
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.88
LogP (Chemaxon):	3.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value