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Chemical ID: 6675230
Chemical ID:
6675230
Name [?]:
N-[(4-chlorophenyl)carbamoyl]-N-methyl-butanamide
SMILES [?]:
CCCC(=O)N(C)C(=O)Nc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H15ClN2O2/c1-3-4-11(16)15(2)12(17)14-10-7-5-9(13)6-8-10/h5-8H,3-4H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,7,2,3,13,15,12,16,14,11,4,8,17,10,6,5,9/E:(5,6)(7,8)/rA:17nCCCCONCCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClN2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73604 |
Area: | 446.501 |
Solvation: | -3.42648 |
Coulombic: | -37.8453 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.712 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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