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Chemical ID: 5876506

c1ccc(cc1)NC(=O)N(CCNC(=O)Nc2cccc(c2)Cl)c3ccc(cc3)F

Chemical ID:

5876506

Name [?]:

1-[2-[(3-chlorophenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)-3-phenyl-urea

SMILES [?]:

c1ccc(cc1)NC(=O)N(CCNC(=O)Nc2cccc(c2)Cl)c3ccc(cc3)F

InChi [?]:

InChI=1/C22H20ClFN4O2/c23-16-5-4-8-19(15-16)26-21(29)25-13-14-28(20-11-9-17(24)10-12-20)22(30)27-18-6-2-1-3-7-18/h1-12,15H,13-14H2,(H,27,30)(H2,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,2,6,19,20,3,5,18,26,28,25,29,12,11,22,21,27,4,17,24,14,8,23,30,13,16,7,10,15,9/E:(2,3)(6,7)(9,10)(11,12)/rA:30nCCCCCCNCONCCNCONCCCCCCClCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s10;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀ClFN₄O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3183
Area:	664.435
Solvation:	-4.29259
Coulombic:	-69.8288

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	426.871
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.11
LogP (Chemaxon):	5.1

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