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Chemical ID: 6348022
Chemical ID:
6348022
Name [?]:
N-(2-bromophenyl)pentanamide
SMILES [?]:
CCCCC(=O)Nc1ccccc1Br
InChi [?]:
InChI=1/C11H14BrNO/c1-2-3-8-11(14)13-10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,11,10,12,9,4,13,8,5,14,7,6/rA:14nCCCCCONCCCCCCBr/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14BrNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.42727 |
Area: | 398.197 |
Solvation: | -1.52767 |
Coulombic: | -21.7018 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.139 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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