ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7254391

Chemical ID:

7254391

Name [?]:

2-cyclopentylcarbonylamino-N-(1-phenylethyl)benzamide

SMILES [?]:

CC(c1ccccc1)NC(=O)c2ccccc2NC(=O)C3CCCC3

InChi [?]:

InChI=1/C21H24N2O2/c1-15(16-9-3-2-4-10-16)22-21(25)18-13-7-8-14-19(18)23-20(24)17-11-5-6-12-17/h2-4,7-10,13-15,17H,5-6,11-12H2,1H3,(H,22,25)(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,23,24,14,15,4,8,22,25,13,16,2,3,21,12,17,19,10,9,18,20,11/E:(3,4)(5,6)(9,10)(11,12)/rA:25cCCCCCCCCNCOCCCCCCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₄N₂O₂
All Atoms:	49
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	11.4836
Area:	558.878
Solvation:	-2.48832
Coulombic:	-45.2257

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	336.428
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.69
LogP (Chemaxon):	4.59

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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