Chemical ID: 4386152

Cc1ccc(cc1Cl)NC(=O)c2cc(ccc2Cl)NC(=O)CCCC(=O)O
Chemical ID:
4386152
Name [?]:
5-[4-chloro-3-[(3-chloro-4-methyl-phenyl)carbamoyl]phenyl]amino-5-oxo-pentanoic acid
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2cc(ccc2Cl)NC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C19H18Cl2N2O4/c1-11-5-6-13(10-16(11)21)23-19(27)14-9-12(7-8-15(14)20)22-17(24)3-2-4-18(25)26/h5-10H,2-4H2,1H3,(H,22,24)(H,23,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,3,4,15,16,13,6,2,14,5,12,17,7,20,25,10,18,8,19,9,21,26,27,11/E:(25,26)/rA:27nCCCCCCCClNCOCCCCCCClNCOCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;s19;d20;s20;s22;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18Cl2N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8936
Area:635.718
Solvation:-4.99937
Coulombic:-65.8671
Bond Count [?]
All:28
Single:19
Double:9
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.263
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.45
LogP (Chemaxon):4.12

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