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Chemical ID: 7101412

Chemical ID:

7101412

Name [?]:

2-[2-chloro-6-ethoxy-4-(2-hydroxypropylaminomethyl)phenoxy]acetamide

SMILES [?]:

CCOc1cc(cc(c1OCC(=O)N)Cl)CNCC(C)O

InChi [?]:

InChI=1/C14H21ClN2O4/c1-3-20-12-5-10(7-17-6-9(2)18)4-11(15)14(12)21-8-13(16)19/h4-5,9,17-18H,3,6-8H2,1-2H3,(H2,16,19)

InChi Info:

AuxInfo=1/1/N:1,20,2,7,5,18,16,11,19,6,8,4,12,9,15,14,17,21,13,3,10/rA:21cCCOCCCCCCOCCONClCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s8;s6;s16;s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁ClN₂O₄
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	6.47199
Area:	547.55
Solvation:	-7.21675
Coulombic:	-64.6205

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	316.78
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	0.55
LogP (Chemaxon):	0.57

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