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Chemical ID: 6995737

Chemical ID:

6995737

Name [?]:

N-[(4-fluorophenyl)methyleneaminocarbamoylmethyl]benzamide

SMILES [?]:

c1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2)F

InChi [?]:

InChI=1/C16H14FN3O2/c17-14-8-6-12(7-9-14)10-19-20-15(21)11-18-16(22)13-4-2-1-3-5-13/h1-10H,11H2,(H,18,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,17,21,18,20,15,10,16,4,19,11,7,22,9,14,13,12,8/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCONCCONNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄FN₃O₂
All Atoms:	36
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.26697
Area:	525.181
Solvation:	-4.86255
Coulombic:	-45.183

Bond Count [?]

All:	23
Single:	14
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	299.3
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.33
LogP (Chemaxon):	2.31

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