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Chemical ID: 4213180

Chemical ID:

4213180

Name [?]:

N-[2-(4-fluorophenyl)ethyl]-2,4-dimethoxy-benzamide

SMILES [?]:

COc1ccc(c(c1)OC)C(=O)NCCc2ccc(cc2)F

InChi [?]:

InChI=1/C17H18FNO3/c1-21-14-7-8-15(16(11-14)22-2)17(20)19-10-9-12-3-5-13(18)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,10,17,21,18,20,4,5,15,14,8,16,19,3,6,7,11,22,13,12,2,9/E:(3,4)(5,6)/rA:22nCOCCCCCCOCCONCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈FNO₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.85053
Area:	513.304
Solvation:	-5.98208
Coulombic:	-39.473

Bond Count [?]

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

Chemical Properties

Molecular Weight:	303.328
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.29
LogP (Chemaxon):	2.61

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