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Chemical ID: 3967501

Chemical ID:

3967501

Name [?]:

4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide

SMILES [?]:

CCN(CC)CCNC(=O)c1cc(c(cc1OC)N)Cl

InChi [?]:

InChI=1/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,5,18,2,4,7,6,12,15,11,13,14,16,9,20,19,8,3,10,17/E:(1,2)(4,5)/rA:20nCCNCCCCNCOCCCCCCOCNCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₂ClN₃O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.88774
Area:	523.823
Solvation:	-4.20783
Coulombic:	-49.1067

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	299.796
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	1.85
LogP (Chemaxon):	1.09

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