Chemical ID: 4805878

CC(=O)NCC(=O)NNC1CC(=O)N(C1=O)c2cccc(c2)Cl
Chemical ID:
4805878
Name [?]:
N-[[1-(3-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]aminocarbamoylmethyl]acetamide
SMILES [?]:
CC(=O)NCC(=O)NNC1CC(=O)N(C1=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C14H15ClN4O4/c1-8(20)16-7-12(21)18-17-11-6-13(22)19(14(11)23)10-4-2-3-9(15)5-10/h2-5,11,17H,6-7H2,1H3,(H,16,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,22,11,5,2,21,17,10,6,12,15,23,4,9,8,14,3,7,13,16/rA:23cCCONCCONNCCCONCOCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s6;s8;s9;s10;s11;d12;s12;s10s14;d15;s14;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN4O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.23999
Area:555.929
Solvation:-5.65824
Coulombic:-66.0314
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:338.746
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:0.78
LogP (Chemaxon):-0.83

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Descriptor Annotations

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