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Chemical ID: 7325722

Chemical ID:

7325722

Name [?]:

N-[4-(dimethylcarbamoyl)phenyl]-2,4-difluoro-benzamide

SMILES [?]:

CN(C)C(=O)c1ccc(cc1)NC(=O)c2ccc(cc2F)F

InChi [?]:

InChI=1/C16H14F2N2O2/c1-20(2)16(22)10-3-6-12(7-4-10)19-15(21)13-8-5-11(17)9-14(13)18/h3-9H,1-2H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,3,7,11,17,8,10,16,19,6,18,9,15,20,13,4,22,21,12,2,14,5/E:(1,2)(3,4)(6,7)/rA:22nCNCCOCCCCCCNCOCCCCCCFF/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄F₂N₂O₂
All Atoms:	36
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.77774
Area:	479.939
Solvation:	-5.22075
Coulombic:	-43.9258

Bond Count [?]

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

Chemical Properties

Molecular Weight:	304.291
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.86
LogP (Chemaxon):	2.53

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