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Chemical ID: 4484310

Chemical ID:

4484310

Name [?]:

N-(4-diethylamino-2-methyl-phenyl)-3-fluoro-benzamide

SMILES [?]:

CCN(CC)c1ccc(c(c1)C)NC(=O)c2cccc(c2)F

InChi [?]:

InChI=1/C18H21FN2O/c1-4-21(5-2)16-9-10-17(13(3)11-16)20-18(22)14-7-6-8-15(19)12-14/h6-12H,4-5H2,1-3H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,5,12,2,4,18,17,19,7,8,11,21,10,16,20,6,9,14,22,13,3,15/E:(1,2)(4,5)/rA:22nCCNCCCCCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s9;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁FN₂O
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.76654
Area:	511.08
Solvation:	-3.01047
Coulombic:	-32.0032

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	300.371
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.43
LogP (Chemaxon):	4.01

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