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Chemical ID: 7267475

Chemical ID:

7267475

Name [?]:

N-ethyl-3-fluoro-N-[(2-methoxyphenyl)carbamoylmethyl]benzamide

SMILES [?]:

CCN(CC(=O)Nc1ccccc1OC)C(=O)c2cccc(c2)F

InChi [?]:

InChI=1/C18H19FN2O3/c1-3-21(18(23)13-7-6-8-14(19)11-13)12-17(22)20-15-9-4-5-10-16(15)24-2/h4-11H,3,12H2,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,15,2,10,11,20,19,21,9,12,23,4,18,22,8,13,5,16,24,7,3,6,17,14/rA:24nCCNCCONCCCCCCOCCOCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s3;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉FN₂O₃
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.17346
Area:	520.594
Solvation:	-4.84139
Coulombic:	-49.7816

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	330.354
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.81
LogP (Chemaxon):	2.5

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