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Chemical ID: 7336971

c1ccc(cc1)c2ccc(cc2)NC(=O)C3CCCN(C3)C(=O)c4ccc(cc4)Cl

Chemical ID:

7336971

Name [?]:

1-(4-chlorobenzoyl)-N-(4-phenylphenyl)-piperidine-3-carboxamide

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)NC(=O)C3CCCN(C3)C(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C25H23ClN2O2/c26-22-12-8-20(9-13-22)25(30)28-16-4-7-21(17-28)24(29)27-23-14-10-19(11-15-23)18-5-2-1-3-6-18/h1-3,5-6,8-15,21H,4,7,16-17H2,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,6,18,3,5,17,25,29,8,12,26,28,9,11,19,21,4,7,24,16,27,10,14,22,30,13,20,15,23/E:(2,3)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:30cCCCCCCCCCCCCNCOCCCCNCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;s19;s16s20;s20;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃ClN₂O₂
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.7702
Area:	647.566
Solvation:	-3.41896
Coulombic:	-40.8459

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	418.915
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.4
LogP (Chemaxon):	5.13

Name Annotations

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

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