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Chemical ID: 6413156

c1cc(cc(c1)F)C(=O)NCC(=O)NN=Cc2ccc(c(c2)[N+](=O)[O-])Cl

Chemical ID:

6413156

Name [?]:

N-[(4-chloro-3-nitro-phenyl)methyleneaminocarbamoylmethyl]-3-fluoro-benzamide

SMILES [?]:

c1cc(cc(c1)F)C(=O)NCC(=O)NN=Cc2ccc(c(c2)[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C16H12ClFN4O4/c17-13-5-4-10(6-14(13)22(25)26)8-20-21-15(23)9-19-16(24)11-2-1-3-12(18)7-11/h1-8H,9H2,(H,19,24)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,2,6,18,19,22,4,16,11,17,3,5,20,21,12,8,26,7,10,15,14,23,13,9,24,25/E:(25,26)/CRV:22.5/rA:26nCCCCCCFCONCCONNCCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₂ClFN₄O₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	3.25008
Area:	584.233
Solvation:	-11.3558
Coulombic:	-53.287

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	378.742
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.72
LogP (Chemaxon):	2.78

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value