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Chemical ID: 4353869

Chemical ID:

4353869

Name [?]:

N-(3-chloro-2-methyl-phenyl)-N'-[(4-fluorophenyl)methyl]oxamide

SMILES [?]:

Cc1c(cccc1Cl)NC(=O)C(=O)NCc2ccc(cc2)F

InChi [?]:

InChI=1/C16H14ClFN2O2/c1-10-13(17)3-2-4-14(10)20-16(22)15(21)19-9-11-5-7-12(18)8-6-11/h2-8H,9H2,1H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,5,6,4,17,21,18,20,15,2,16,19,7,3,12,10,8,22,14,9,13,11/E:(5,6)(7,8)/rA:22nCCCCCCCClNCOCONCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄ClFN₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2855
Area:	519.745
Solvation:	-2.70809
Coulombic:	-52.0764

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	320.746
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.18
LogP (Chemaxon):	2.93

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