N-(3-chloro-4-morpholin-4-ylphenyl)acetamide

C12H15ClN2O2 — CID 1114483

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyOSWPAYMNNXDKOV-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.13
Rot. Bonds2

About N-(3-chloro-4-morpholin-4-ylphenyl)acetamide

N-(3-chloro-4-morpholin-4-ylphenyl)acetamide (PubChem CID 1114483) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)acetamide
PubChem CID1114483
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyOSWPAYMNNXDKOV-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
TS-011
CID 9816527
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
3-Chloro-2-(morpholin-4-yl)aniline
CID 952393
3-Chloro-4-morpholinoaniline
CID 108661
Acetanilide, 2-morpholino-2',4',6'-trichloro-
CID 49949
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-methylpropanamide
CID 772860
N-(4-Chloro-phenyl)-3-morpholin-4-yl-propionamide
CID 24746939
Morpholine, 4-(2-chloro-4-nitrophenyl)-
CID 108711
Cambridge id 5628081
CID 234240
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
1-(3-Chlorophenyl)-4-(methoxyacetyl)piperazine
CID 808459

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)acetamide (CID 1114483) is N-(3-chloro-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)acetamide is CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is OSWPAYMNNXDKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,16).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)acetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 254.72 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1114483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).