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Chemical ID: 7062031

c1ccc(cc1)C(=O)c2ccccc2NC(=O)c3ccc(o3)c4ccc(cc4Cl)Cl

Chemical ID:

7062031

Name [?]:

N-(2-benzoylphenyl)-5-(2,4-dichlorophenyl)-furan-2-carboxamide

SMILES [?]:

c1ccc(cc1)C(=O)c2ccccc2NC(=O)c3ccc(o3)c4ccc(cc4Cl)Cl

InChi [?]:

InChI=1/C24H15Cl2NO3/c25-16-10-11-17(19(26)14-16)21-12-13-22(30-21)24(29)27-20-9-5-4-8-18(20)23(28)15-6-2-1-3-7-15/h1-14H,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,6,11,12,3,5,10,13,25,24,20,19,27,4,26,23,9,28,14,21,18,7,16,30,29,15,8,17,22/E:(2,3)(6,7)/rA:30nCCCCCCCOCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;d16;s16;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₅Cl₂NO₃
All Atoms:	45
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.126
Area:	650.465
Solvation:	-3.13563
Coulombic:	-43.3126

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	436.286
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.87
LogP (Chemaxon):	6.41

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

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

Chemical Mix	Source	External ID	Descriptor	Value