Chemical ID: 4629485

CCCCC(C(C)CC(=O)Nc1ccccc1Cl)C(=O)O
Chemical ID:
4629485
Name [?]:
2-[2-[(2-chlorophenyl)carbamoyl]-1-methyl-ethyl]hexanoic acid
SMILES [?]:
CCCCC(C(C)CC(=O)Nc1ccccc1Cl)C(=O)O
InChi [?]:
InChI=1/C16H22ClNO3/c1-3-4-7-12(16(20)21)11(2)10-15(19)18-14-9-6-5-8-13(14)17/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,7,2,3,15,14,4,16,13,8,6,5,17,12,9,19,18,11,10,20,21/E:(20,21)/rA:21cCCCCCCCCCONCCCCCCClCOO/rB:s1;s2;s3;s4;s5;s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s5;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22ClNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:10.3805
Area:528.684
Solvation:-2.83663
Coulombic:-48.3051
Bond Count [?]
All:21
Single:16
Double:5
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.804
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):3.51

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Descriptor Annotations

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