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Chemical ID: 5976544

CN(C)c1ccc(cc1C(=O)NCc2ccc(cc2)F)NC(=O)c3cccc(c3)Cl

Chemical ID:

5976544

Name [?]:

5-(3-chlorobenzoyl)amino-2-dimethylamino-N-[(4-fluorophenyl)methyl]benzamide

SMILES [?]:

CN(C)c1ccc(cc1C(=O)NCc2ccc(cc2)F)NC(=O)c3cccc(c3)Cl

InChi [?]:

InChI=1/C23H21ClFN3O2/c1-28(2)21-11-10-19(27-22(29)16-4-3-5-17(24)12-16)13-20(21)23(30)26-14-15-6-8-18(25)9-7-15/h3-13H,14H2,1-2H3,(H,26,30)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,3,26,25,27,15,19,16,18,6,5,29,8,13,14,24,28,17,7,9,4,22,10,30,20,12,21,2,23,11/E:(1,2)(6,7)(8,9)/rA:30nCNCCCCCCCCONCCCCCCCFNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s7;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁ClFN₃O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6485
Area:	660.962
Solvation:	-4.87551
Coulombic:	-53.9433

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	425.883
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.1
LogP (Chemaxon):	4.7

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