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Chemical ID: 7264766
Chemical ID:
7264766
Name [?]:
N-[(2-bromophenyl)carbamoylmethyl]-N-methyl-3-phenyl-propanamide
SMILES [?]:
CN(CC(=O)Nc1ccccc1Br)C(=O)CCc2ccccc2
InChi [?]:
InChI=1/C18H19BrN2O2/c1-21(18(23)12-11-14-7-3-2-4-8-14)13-17(22)20-16-10-6-5-9-15(16)19/h2-10H,11-13H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,10,9,19,23,11,8,17,16,3,18,12,7,4,14,13,6,2,5,15/E:(3,4)(7,8)/rA:23nCNCCONCCCCCCBrCOCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s2;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19BrN2O2 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5382 |
Area: | 554.101 |
Solvation: | -3.31437 |
Coulombic: | -38.2667 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.26 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.09 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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