ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6299911

Chemical ID:

6299911

Name [?]:

4-[4-(difluoromethoxy)benzoyl]aminobenzamide

SMILES [?]:

c1cc(ccc1C(=O)N)NC(=O)c2ccc(cc2)OC(F)F

InChi [?]:

InChI=1/C15H12F2N2O3/c16-15(17)22-12-7-3-10(4-8-12)14(21)19-11-5-1-9(2-6-11)13(18)20/h1-8,15H,(H2,18,20)(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,5,14,18,2,4,15,17,6,13,3,16,7,11,20,21,22,9,10,8,12,19/E:(1,2)(3,4)(5,6)(7,8)(16,17)/rA:22nCCCCCCCONNCOCCCCCCOCFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₂F₂N₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.54867
Area:	481.541
Solvation:	-4.48985
Coulombic:	-67.1744

Bond Count [?]

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

Chemical Properties

Molecular Weight:	306.264
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	2.51
LogP (Chemaxon):	2.36

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