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Chemical ID: 7305802

Chemical ID:

7305802

Name [?]:

4-chloro-N-(2-morpholinocarbonylethyl)benzamide

SMILES [?]:

c1cc(ccc1C(=O)NCCC(=O)N2CCOCC2)Cl

InChi [?]:

InChI=1/C14H17ClN2O3/c15-12-3-1-11(2-4-12)14(19)16-6-5-13(18)17-7-9-20-10-8-17/h1-4H,5-10H2,(H,16,19)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,11,10,15,19,16,18,6,3,12,7,20,9,14,13,8,17/E:(1,2)(3,4)(7,8)(9,10)/rA:20nCCCCCCCONCCCONCCOCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇ClN₂O₃
All Atoms:	37
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.11636
Area:	508.256
Solvation:	-4.59003
Coulombic:	-45.3143

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	296.749
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.12
LogP (Chemaxon):	0.47

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