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Chemical ID: 6171215

c1cc(cc(c1)Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)F

Chemical ID:

6171215

Name [?]:

N-(3-chlorophenyl)-N'-[[4-[(4-fluorophenyl)methoxy]phenyl]methyleneamino]oxamide

SMILES [?]:

c1cc(cc(c1)Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)F

InChi [?]:

InChI=1/C22H17ClFN3O3/c23-17-2-1-3-19(12-17)26-21(28)22(29)27-25-13-15-6-10-20(11-7-15)30-14-16-4-8-18(24)9-5-16/h1-13H,14H2,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,6,2,25,29,17,21,26,28,18,20,4,15,23,16,24,5,27,3,19,9,11,7,30,14,8,13,10,12,22/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCCCCCCClNCOCONNCCCCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇ClFN₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.364
Area:	661.576
Solvation:	-5.17544
Coulombic:	-57.1129

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	425.84
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.43
LogP (Chemaxon):	5.16

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

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Chemical Mix	Source	External ID	Descriptor	Value