5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid

C13H16Cl2N2O3 — CID 82848270

IUPAC5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-8(4-2-7-11(18)19)16-13(20)17-12-9(14)5-3-6-10(12)15/h3,5-6,8H,2,4,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFVOTUZVRHYLNPX-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.76
Rot. Bonds6

About 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid

5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid (PubChem CID 82848270) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid
PubChem CID82848270
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-8(4-2-7-11(18)19)16-13(20)17-12-9(14)5-3-6-10(12)15/h3,5-6,8H,2,4,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFVOTUZVRHYLNPX-UHFFFAOYSA-N
XLogP3.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,4-dichlorophenyl)carbamoylamino]hexanoic acid
CID 82854342
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
CID 82847921
5-[(4-chloro-3-fluorophenyl)carbamoylamino]hexanoic acid
CID 82848581
5-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 82848077
5-[(3-bromo-2-methylphenyl)carbamoylamino]hexanoic acid
CID 107627437
5-[(4-bromophenyl)carbamoylamino]hexanoic acid
CID 82846118
5-[(4-chloro-2-iodophenyl)carbamoylamino]hexanoic acid
CID 107628473
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 65498843
4-[(2-chloro-6-methylphenyl)carbamoylamino]butanoic acid
CID 66252746
5-[(3-chloro-5-fluorophenyl)carbamoylamino]hexanoic acid
CID 107368743

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid (CID 82848270) is 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid?
The InChIKey is FVOTUZVRHYLNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-8(4-2-7-11(18)19)16-13(20)17-12-9(14)5-3-6-10(12)15/h3,5-6,8H,2,4,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid?
5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid has a molecular weight of 319.19 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 82848270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).