[2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate

C16H14Cl2N2O3 — CID 66615979

IUPAC[2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate
SMILESCCC(=O)Oc1c(N)cccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-2-13(21)23-15-11(19)7-4-8-12(15)20-16(22)14-9(17)5-3-6-10(14)18/h3-8H,2,19H2,1H3,(H,20,22)
InChIKeyJEOKACSHQVLTKM-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.14
Rot. Bonds4

About [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate

[2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate (PubChem CID 66615979) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate.

Molecular Properties

Compound Name[2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate
PubChem CID66615979
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name[2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate
SMILESCCC(=O)Oc1c(N)cccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-2-13(21)23-15-11(19)7-4-8-12(15)20-16(22)14-9(17)5-3-6-10(14)18/h3-8H,2,19H2,1H3,(H,20,22)
InChIKeyJEOKACSHQVLTKM-UHFFFAOYSA-N
XLogP4.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-fluorophenyl) propanoate
CID 70075863
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
CID 63257918
[2-[(2-chloro-6-fluorobenzoyl)amino]-6-[(3S)-6,7-difluoro-2'-oxospiro[2H-indole-3,1'-cyclopropane]-1-yl]phenyl] propanoate
CID 175299377
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
[2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-6-fluorophenyl] propanoate
CID 87336603
2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 63660530
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
(2-chloro-6-methoxyphenyl) propanoate
CID 67392608
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461888

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate?
The IUPAC name of [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate (CID 66615979) is [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate.
What is the SMILES notation for [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate?
The canonical SMILES for [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate is CCC(=O)Oc1c(N)cccc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate?
The InChIKey is JEOKACSHQVLTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-2-13(21)23-15-11(19)7-4-8-12(15)20-16(22)14-9(17)5-3-6-10(14)18/h3-8H,2,19H2,1H3,(H,20,22).
What are the key properties of [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate?
[2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate has a molecular weight of 353.21 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate is sourced from PubChem (CID 66615979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).