5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide

C10H12Cl2N2O2 — CID 107211060

IUPAC5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-5(15)4-14-10(16)7-2-6(13)3-8(11)9(7)12/h2-3,5,15H,4,13H2,1H3,(H,14,16)/t5-/m1/s1
InChIKeyBXOUIBLFNVKLCM-RXMQYKEDSA-N
MW263.12 g/mol
LogP1.69
Rot. Bonds3

About 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide

5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 107211060) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
PubChem CID107211060
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-5(15)4-14-10(16)7-2-6(13)3-8(11)9(7)12/h2-3,5,15H,4,13H2,1H3,(H,14,16)/t5-/m1/s1
InChIKeyBXOUIBLFNVKLCM-RXMQYKEDSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 114092848
5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
CID 107185802
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
3-hydroxybutyl 5-amino-2,3-dichlorobenzoate
CID 107199119
5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 107183328
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide (CID 107211060) is 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)CNC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is BXOUIBLFNVKLCM-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-5(15)4-14-10(16)7-2-6(13)3-8(11)9(7)12/h2-3,5,15H,4,13H2,1H3,(H,14,16)/t5-/m1/s1.
What are the key properties of 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide?
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide has a molecular weight of 263.12 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 107211060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).