N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide

C12H16Cl2N2O2 — CID 114230839

IUPACN-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
SMILESCN(CCCO)CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-16(6-3-7-17)8-11(18)15-10-5-2-4-9(13)12(10)14/h2,4-5,17H,3,6-8H2,1H3,(H,15,18)
InChIKeyGRDWTVNTVLKYCD-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.25
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide

N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide (PubChem CID 114230839) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
PubChem CID114230839
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC NameN-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
SMILESCN(CCCO)CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-16(6-3-7-17)8-11(18)15-10-5-2-4-9(13)12(10)14/h2,4-5,17H,3,6-8H2,1H3,(H,15,18)
InChIKeyGRDWTVNTVLKYCD-UHFFFAOYSA-N
XLogP2.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
N-(2,3-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 109001465
2-[butyl(2-hydroxyethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 60689184
2-[acetyl(propan-2-yl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158283
N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339279
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013612
N-(2,3-dichlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 2574151
N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112543
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
2-[acetyl(cyclopropyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158482
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 11971646

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide (CID 114230839) is N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide is CN(CCCO)CC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide?
The InChIKey is GRDWTVNTVLKYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-16(6-3-7-17)8-11(18)15-10-5-2-4-9(13)12(10)14/h2,4-5,17H,3,6-8H2,1H3,(H,15,18).
What are the key properties of N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide?
N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide has a molecular weight of 291.18 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide is sourced from PubChem (CID 114230839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).