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Chemical ID: 6924471

Chemical ID:

6924471

Name [?]:

N-(4-chlorophenyl)-4-pentanoylamino-benzamide

SMILES [?]:

CCCCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl

InChi [?]:

InChI=1/C18H19ClN2O2/c1-2-3-4-17(22)20-15-9-5-13(6-10-15)18(23)21-16-11-7-14(19)8-12-16/h5-12H,2-4H2,1H3,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,10,12,19,21,9,13,18,22,11,20,8,17,5,14,23,7,16,6,15/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCCCCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉ClN₂O₂
All Atoms:	42
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1152
Area:	564.603
Solvation:	-2.9999
Coulombic:	-42.7867

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	330.808
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.26
LogP (Chemaxon):	4.37

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value