ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 4474961

Chemical ID:

4474961

Name [?]:

N-(3-chlorophenyl)-N'-[(4-fluorophenyl)methyl]oxamide

SMILES [?]:

c1cc(cc(c1)Cl)NC(=O)C(=O)NCc2ccc(cc2)F

InChi [?]:

InChI=1/C15H12ClFN2O2/c16-11-2-1-3-13(8-11)19-15(21)14(20)18-9-10-4-6-12(17)7-5-10/h1-8H,9H2,(H,18,20)(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,6,2,16,20,17,19,4,14,15,5,18,3,11,9,7,21,13,8,12,10/E:(4,5)(6,7)/rA:21nCCCCCCClNCOCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₂ClFN₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.85408
Area:	507.141
Solvation:	-2.82446
Coulombic:	-51.9261

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	306.719
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.95
LogP (Chemaxon):	3.11

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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