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Chemical ID: 6344877
Chemical ID:
6344877
Name [?]:
4-chloro-N-(2,4-dimethoxyphenyl)-butanamide
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)CCCCl
InChi [?]:
InChI=1/C12H16ClNO3/c1-16-9-5-6-10(11(8-9)17-2)14-12(15)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,15,14,4,5,16,8,3,6,7,12,17,11,13,2,9/rA:17nCOCCCCCCOCNCOCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.25182 |
Area: | 458.567 |
Solvation: | -4.21236 |
Coulombic: | -34.5496 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 257.713 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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