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Chemical ID: 7271534
Chemical ID:
7271534
Name [?]:
N-[(2-chlorophenyl)methyl]-2,3-dimethyl-benzamide
SMILES [?]:
Cc1cccc(c1C)C(=O)NCc2ccccc2Cl
InChi [?]:
InChI=1/C16H16ClNO/c1-11-6-5-8-14(12(11)2)16(19)18-10-13-7-3-4-9-15(13)17/h3-9H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,15,16,4,3,14,5,17,12,2,7,13,6,18,9,19,11,10/rA:19nCCCCCCCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0708 |
Area: | 466.544 |
Solvation: | -1.59279 |
Coulombic: | -25.1684 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.757 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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