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Chemical ID: 6367218
Chemical ID:
6367218
Name [?]:
N-benzhydrylpropanamide
SMILES [?]:
CCC(=O)NC(c1ccccc1)c2ccccc2
InChi [?]:
InChI=1/C16H17NO/c1-2-15(18)17-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,10,16,9,11,15,17,8,12,14,18,7,13,3,6,5,4/E:(3,4)(5,6,7,8)(9,10,11,12)(13,14)/rA:18nCCCONCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s6;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78417 |
Area: | 441.841 |
Solvation: | -2.26185 |
Coulombic: | -23.8445 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 239.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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