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Chemical ID: 4082826
Chemical ID:
4082826
Name [?]:
N-benzyl-2-bromo-N-methyl-benzamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)c2ccccc2Br
InChi [?]:
InChI=1/C15H14BrNO/c1-17(11-12-7-3-2-4-8-12)15(18)13-9-5-6-10-14(13)16/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,14,15,5,9,13,16,3,4,12,17,10,18,2,11/E:(3,4)(7,8)/rA:18nCNCCCCCCCCOCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14BrNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01482 |
Area: | 436.217 |
Solvation: | -1.89061 |
Coulombic: | -20.2881 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.182 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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