N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide

C14H20ClN3O3 — CID 102932232

IUPACN-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
SMILESCC1CN(CC(=O)Nc2cc(Cl)ccc2N)CC(CO)O1
InChIInChI=1S/C14H20ClN3O3/c1-9-5-18(6-11(8-19)21-9)7-14(20)17-13-4-10(15)2-3-12(13)16/h2-4,9,11,19H,5-8,16H2,1H3,(H,17,20)
InChIKeyHSUYWKDEYXAPRK-UHFFFAOYSA-N
MW313.79 g/mol
LogP0.94
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide

N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide (PubChem CID 102932232) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
PubChem CID102932232
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
SMILESCC1CN(CC(=O)Nc2cc(Cl)ccc2N)CC(CO)O1
InChIInChI=1S/C14H20ClN3O3/c1-9-5-18(6-11(8-19)21-9)7-14(20)17-13-4-10(15)2-3-12(13)16/h2-4,9,11,19H,5-8,16H2,1H3,(H,17,20)
InChIKeyHSUYWKDEYXAPRK-UHFFFAOYSA-N
XLogP0.94
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932176
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935529
N-(3-chloro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935978
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
N-[4-(aminomethyl)phenyl]-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932274
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935980
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(3-fluoro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935699
N-(3,5-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936061
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4840176

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide (CID 102932232) is N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide is CC1CN(CC(=O)Nc2cc(Cl)ccc2N)CC(CO)O1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The InChIKey is HSUYWKDEYXAPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-9-5-18(6-11(8-19)21-9)7-14(20)17-13-4-10(15)2-3-12(13)16/h2-4,9,11,19H,5-8,16H2,1H3,(H,17,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide has a molecular weight of 313.79 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 102932232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).