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Chemical ID: 6675242
Chemical ID:
6675242
Name [?]:
N-[(4-chlorophenyl)carbamoyl]-N-propyl-acetamide
SMILES [?]:
CCCN(C(=O)C)C(=O)Nc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H15ClN2O2/c1-3-8-15(9(2)16)12(17)14-11-6-4-10(13)5-7-11/h4-7H,3,8H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,7,2,13,15,12,16,3,5,14,11,8,17,10,4,6,9/E:(4,5)(6,7)/rA:17nCCCNCOCCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClN2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06781 |
Area: | 441.924 |
Solvation: | -1.98029 |
Coulombic: | -39.8391 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.712 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.34 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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