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Chemical ID: 6138375

Chemical ID:

6138375

Name [?]:

N-(3-diethylaminopropyl)-3-fluoro-benzamide

SMILES [?]:

CCN(CC)CCCNC(=O)c1cccc(c1)F

InChi [?]:

InChI=1/C14H21FN2O/c1-3-17(4-2)10-6-9-16-14(18)12-7-5-8-13(15)11-12/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,14,7,13,15,8,6,17,12,16,10,18,9,3,11/E:(1,2)(3,4)/rA:18nCCNCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁FN₂O
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	9.07699
Area:	477.641
Solvation:	-2.86404
Coulombic:	-31.0647

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	252.328
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.65
LogP (Chemaxon):	1.8

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