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Chemical ID: 6403559
Chemical ID:
6403559
Name [?]:
N-[(4-chlorophenyl)methyl]-N'-(tetrahydrofuran-2-ylmethyl)oxamide
SMILES [?]:
c1cc(ccc1CNC(=O)C(=O)NCC2CCCO2)Cl
InChi [?]:
InChI=1/C14H17ClN2O3/c15-11-5-3-10(4-6-11)8-16-13(18)14(19)17-9-12-2-1-7-20-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:17,16,1,5,2,4,18,7,14,6,3,15,9,11,20,8,13,10,12,19/E:(3,4)(5,6)/rA:20cCCCCCCCNCOCONCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;s15s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17ClN2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.7662 |
Area: | 519.918 |
Solvation: | -3.23176 |
Coulombic: | -56.1003 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 296.749 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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