[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid

C10H11BCl2N2O4 — CID 142284164

IUPAC[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid
SMILESO=C(CNC(=O)c1cc(Cl)ccc1Cl)NCB(O)O
InChIInChI=1S/C10H11BCl2N2O4/c12-6-1-2-8(13)7(3-6)10(17)14-4-9(16)15-5-11(18)19/h1-3,18-19H,4-5H2,(H,14,17)(H,15,16)
InChIKeyLJEWHUKMHXGFSN-UHFFFAOYSA-N
MW304.93 g/mol
LogP-0.15
Rot. Bonds5

About [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid

[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid (PubChem CID 142284164) has the molecular formula C10H11BCl2N2O4 and a molecular weight of 304.93 g/mol. Its IUPAC name is [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid.

Molecular Properties

Compound Name[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid
PubChem CID142284164
Molecular FormulaC10H11BCl2N2O4
Molecular Weight304.93 g/mol
Exact Mass304.02
IUPAC Name[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid
SMILESO=C(CNC(=O)c1cc(Cl)ccc1Cl)NCB(O)O
InChIInChI=1S/C10H11BCl2N2O4/c12-6-1-2-8(13)7(3-6)10(17)14-4-9(16)15-5-11(18)19/h1-3,18-19H,4-5H2,(H,14,17)(H,15,16)
InChIKeyLJEWHUKMHXGFSN-UHFFFAOYSA-N
XLogP-0.15
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.93
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[2-[[(1R)-1-dimethylboranyl-3-methylbutyl]amino]-2-oxoethyl]benzamide
CID 59441524
CID 123415418
CID 123415418
3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 91795654
5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 32559967
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 91833337
2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide
CID 159122733
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
5-chloro-2-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 49167744
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188

Frequently Asked Questions

What is the IUPAC name of [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid?
The IUPAC name of [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid (CID 142284164) is [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid.
What is the SMILES notation for [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid?
The canonical SMILES for [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid is O=C(CNC(=O)c1cc(Cl)ccc1Cl)NCB(O)O.
What is the InChIKey of [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid?
The InChIKey is LJEWHUKMHXGFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BCl2N2O4/c12-6-1-2-8(13)7(3-6)10(17)14-4-9(16)15-5-11(18)19/h1-3,18-19H,4-5H2,(H,14,17)(H,15,16).
What are the key properties of [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid?
[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid has a molecular weight of 304.93 g/mol, XLogP of -0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]methylboronic acid is sourced from PubChem (CID 142284164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).