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Chemical ID: 5721254
Chemical ID:
5721254
Name [?]:
2,4-dimethyl-N-(m-tolyl)benzamide
SMILES [?]:
Cc1cccc(c1)NC(=O)c2ccc(cc2C)C
InChi [?]:
InChI=1/C16H17NO/c1-11-5-4-6-14(10-11)17-16(18)15-8-7-12(2)9-13(15)3/h4-10H,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,4,3,5,13,12,15,7,2,14,16,6,11,9,8,10/rA:18nCCCCCCCNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25195 |
Area: | 434.502 |
Solvation: | -1.6106 |
Coulombic: | -23.4988 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 239.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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