Chemical ID: 5816514

CCC(c1ccccc1)C(=O)NC(CC(=O)O)c2ccc(cc2)Cl
Chemical ID:
5816514
Name [?]:
3-(4-chlorophenyl)-3-(2-phenylbutanoylamino)propanoic acid
SMILES [?]:
CCC(c1ccccc1)C(=O)NC(CC(=O)O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H20ClNO3/c1-2-16(13-6-4-3-5-7-13)19(24)21-17(12-18(22)23)14-8-10-15(20)11-9-14/h3-11,16-17H,2,12H2,1H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,19,23,20,22,14,4,18,21,3,13,15,10,24,12,16,17,11/E:(4,5)(6,7)(8,9)(10,11)(22,23)/rA:24cCCCCCCCCCCONCCCOOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;d15;s15;s13;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.0402
Area:558.444
Solvation:-3.92093
Coulombic:-48.6578
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:345.82
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.0
LogP (Chemaxon):4.11

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