N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide

C16H16Cl2N2O2 — CID 4882119

IUPACN-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1ccccc1CO)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-10(19-13-7-3-2-5-11(13)9-21)16(22)20-14-8-4-6-12(17)15(14)18/h2-8,10,19,21H,9H2,1H3,(H,20,22)
InChIKeyAHOFNCQTOOYCGU-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.92
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide

N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide (PubChem CID 4882119) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide
PubChem CID4882119
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC NameN-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1ccccc1CO)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-10(19-13-7-3-2-5-11(13)9-21)16(22)20-14-8-4-6-12(17)15(14)18/h2-8,10,19,21H,9H2,1H3,(H,20,22)
InChIKeyAHOFNCQTOOYCGU-UHFFFAOYSA-N
XLogP3.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(4-chloro-2-(hydroxyphenylmethyl)phenyl)-2-(diethylamino)-, monohydrochloride
CID 198249
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(3-methylphenyl)methyl]acetamide
CID 56787280
Cambridge id 6214602
CID 2890809
1-allyl-N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54682104
N-(3-chlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide
CID 4884151
N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54677085
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(diethylamino)acetamide
CID 198250
N-(2,3-dichlorophenyl)-2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54682103
N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-propyl-1,2-dihydro-3-quinolinecarboxamide
CID 54682105
N-(5-chloro-2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
CID 47063903
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 53553011
N-(5-chloro-2-fluorophenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
CID 53557871

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide (CID 4882119) is N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide is CC(Nc1ccccc1CO)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide?
The InChIKey is AHOFNCQTOOYCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-10(19-13-7-3-2-5-11(13)9-21)16(22)20-14-8-4-6-12(17)15(14)18/h2-8,10,19,21H,9H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide?
N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide has a molecular weight of 339.22 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[2-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 4882119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).