N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide

C14H20ClN3O2 — CID 43592349

IUPACN-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
SMILESCC1(C)CN(CC(=O)Nc2cc(N)ccc2Cl)CCO1
InChIInChI=1S/C14H20ClN3O2/c1-14(2)9-18(5-6-20-14)8-13(19)17-12-7-10(16)3-4-11(12)15/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyQUUJYQQHNVOAGF-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.97
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide

N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide (PubChem CID 43592349) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
PubChem CID43592349
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
SMILESCC1(C)CN(CC(=O)Nc2cc(N)ccc2Cl)CCO1
InChIInChI=1S/C14H20ClN3O2/c1-14(2)9-18(5-6-20-14)8-13(19)17-12-7-10(16)3-4-11(12)15/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyQUUJYQQHNVOAGF-UHFFFAOYSA-N
XLogP1.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103355475
N-(2-aminophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592397
N-(5-amino-2-chlorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)acetamide
CID 63156744
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
CID 63216260
N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592815
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042
N-(5-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932176
1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570
N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 110122379
N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331552
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide
CID 171701418

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide (CID 43592349) is N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide is CC1(C)CN(CC(=O)Nc2cc(N)ccc2Cl)CCO1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
The InChIKey is QUUJYQQHNVOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(2)9-18(5-6-20-14)8-13(19)17-12-7-10(16)3-4-11(12)15/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide?
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 43592349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).