Chemical ID: 4209625

CC(C)CC(=O)Nc1cccc(c1)NC(=O)c2ccccc2Cl
Chemical ID:
4209625
Name [?]:
2-chloro-N-[3-(3-methylbutanoylamino)phenyl]-benzamide
SMILES [?]:
CC(C)CC(=O)Nc1cccc(c1)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C18H19ClN2O2/c1-12(2)10-17(22)20-13-6-5-7-14(11-13)21-18(23)15-8-3-4-9-16(15)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,10,9,11,18,21,4,13,2,8,12,17,22,5,15,23,7,14,6,16/E:(1,2)/rA:23nCCCCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2353
Area:540.06
Solvation:-3.26622
Coulombic:-42.3687
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:330.808
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.2
LogP (Chemaxon):4.3

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Descriptor Annotations

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