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

C13H16Cl2N2O3 — CID 43555003

IUPAC2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-2-3-4-10(12(18)19)16-13(20)17-11-7-8(14)5-6-9(11)15/h5-7,10H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAYFGXMFPFFQMOM-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.76
Rot. Bonds6

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

2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid (PubChem CID 43555003) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
PubChem CID43555003
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-2-3-4-10(12(18)19)16-13(20)17-11-7-8(14)5-6-9(11)15/h5-7,10H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAYFGXMFPFFQMOM-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

(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
(2S)-2-[(5-bromo-2-chlorophenyl)carbamoylamino]hexanoic acid
CID 107146033
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid
CID 61184596
(2S)-2-[(2,5-dichloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 107146519
2-[(2-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 61196684
(2S)-2-[(2-chloro-4-cyanophenyl)carbamoylamino]hexanoic acid
CID 107809363
(2S)-2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]hexanoic acid
CID 107144440
(2R)-2-[(5-chloro-2-cyanophenyl)carbamoylamino]pentanoic acid
CID 107567136
2-[(5-chloro-2-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084402
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084041

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid (CID 43555003) is 2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid is CCCCC(NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid?
The InChIKey is AYFGXMFPFFQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-2-3-4-10(12(18)19)16-13(20)17-11-7-8(14)5-6-9(11)15/h5-7,10H,2-4H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid?
2-[(2,5-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 2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 43555003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).