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Chemical ID: 3939558

c1cc(ccc1C(=O)NC2CCN(CC2)C(=O)Nc3ccc(cc3)Cl)F

Chemical ID:

3939558

Name [?]:

4-(4-fluorobenzoyl)amino-N,N-bis[4-(4-fluorobenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide

SMILES [?]:

c1cc(ccc1C(=O)NC2CCN(CC2)C(=O)Nc3ccc(cc3)Cl)F

InChi [?]:

InChI=1/C19H19ClFN3O2/c20-14-3-7-16(8-4-14)23-19(26)24-11-9-17(10-12-24)22-18(25)13-1-5-15(21)6-2-13/h1-8,17H,9-12H2,(H,22,25)(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,5,21,23,2,4,20,24,11,15,12,14,6,22,3,19,10,7,16,25,26,9,18,13,8,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCONCCCNCCCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉ClFN₃O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7978
Area:	586.825
Solvation:	-3.87281
Coulombic:	-56.4175

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	375.824
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.6
LogP (Chemaxon):	3.01

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