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Chemical ID: 6711683
Chemical ID:
6711683
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3-(2,3,4,5-tetrahydropyrrol-1-yl)propanamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CC[NH+]2CCCC2
InChi [?]:
InChI=1/C14H19ClN2O/c1-11-12(15)5-4-6-13(11)16-14(18)7-10-17-8-2-3-9-17/h4-6H,2-3,7-10H2,1H3,(H,16,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,16,17,5,6,4,12,15,18,13,2,7,3,10,8,9,14,11/E:(2,3)(8,9)/rA:18nCCCCCCCClNCOCCN+CCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20ClN2O+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.4445 |
Area: | 464.096 |
Solvation: | -33.0469 |
Coulombic: | 10.9997 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.774 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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