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Chemical ID: 7258637

Chemical ID:

7258637

Name [?]:

4-chloro-N-[2-[(2-ethyl-6-methyl-phenyl)carbamoyl]ethyl]benzamide

SMILES [?]:

CCc1cccc(c1NC(=O)CCNC(=O)c2ccc(cc2)Cl)C

InChi [?]:

InChI=1/C19H21ClN2O2/c1-3-14-6-4-5-13(2)18(14)22-17(23)11-12-21-19(24)15-7-9-16(20)10-8-15/h4-10H,3,11-12H2,1-2H3,(H,21,24)(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,24,2,5,6,4,18,22,19,21,12,13,7,3,17,20,10,8,15,23,14,9,11,16/E:(7,8)(9,10)/rA:24nCCCCCCCCNCOCCNCOCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁ClN₂O₂
All Atoms:	45
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.021
Area:	576.538
Solvation:	-3.39244
Coulombic:	-42.9443

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	344.835
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.86
LogP (Chemaxon):	2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value