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Chemical ID: 4145491
Chemical ID:
4145491
Name [?]:
N-(3-acetylphenyl)-2-chloro-benzamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C15H12ClNO2/c1-10(18)11-5-4-6-12(9-11)17-15(19)13-7-2-3-8-14(13)16/h2-9H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,15,16,6,5,7,14,17,9,2,4,8,13,18,11,19,10,3,12/rA:19nCCOCCCCCCNCOCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91448 |
Area: | 455.084 |
Solvation: | -3.46262 |
Coulombic: | -29.5358 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.46 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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