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Chemical ID: 5911107

Chemical ID:

5911107

Name [?]:

3-fluoro-N-(2-methoxyethyl)-N-[(5-methyl-2-furyl)methyl]benzamide

SMILES [?]:

Cc1ccc(o1)CN(CCOC)C(=O)c2cccc(c2)F

InChi [?]:

InChI=1/C16H18FNO3/c1-12-6-7-15(21-12)11-18(8-9-20-2)16(19)13-4-3-5-14(17)10-13/h3-7,10H,8-9,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,12,17,16,18,3,4,9,10,20,7,2,15,19,5,13,21,8,14,11,6/rA:21nCCCCCOCNCCOCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;s8;d13;s13;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈FNO₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.25571
Area:	479.555
Solvation:	-5.73315
Coulombic:	-34.2172

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	291.317
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.18
LogP (Chemaxon):	1.9

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