N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide

C11H14Cl2N2O2 — CID 64539557

IUPACN-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide
SMILESCC(O)C(N)CNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-6(16)9(14)5-15-11(17)7-3-2-4-8(12)10(7)13/h2-4,6,9,16H,5,14H2,1H3,(H,15,17)
InChIKeyBJMGMZNWIQKKSV-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.43
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide

N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide (PubChem CID 64539557) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide
PubChem CID64539557
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC NameN-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide
SMILESCC(O)C(N)CNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-6(16)9(14)5-15-11(17)7-3-2-4-8(12)10(7)13/h2-4,6,9,16H,5,14H2,1H3,(H,15,17)
InChIKeyBJMGMZNWIQKKSV-UHFFFAOYSA-N
XLogP1.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
N-(2-amino-3-hydroxybutyl)-2-nitrobenzamide
CID 64540819
2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 65218826
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044
2,3-dichloro-N-sulfanylbenzamide
CID 71773851
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
N-(2-amino-3-hydroxybutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 64541676
N-(2-amino-3-hydroxybutyl)-3-iodobenzamide
CID 64539149
2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113268438
N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
CID 64540190

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide (CID 64539557) is N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide is CC(O)C(N)CNC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide?
The InChIKey is BJMGMZNWIQKKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-6(16)9(14)5-15-11(17)7-3-2-4-8(12)10(7)13/h2-4,6,9,16H,5,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide?
N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide has a molecular weight of 277.15 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 64539557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).