2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide

C14H18ClFN2O2 — CID 146106565

IUPAC2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide
SMILESO=C(CCl)NCCc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C14H18ClFN2O2/c15-10-14(19)17-4-3-11-1-2-13(12(16)9-11)18-5-7-20-8-6-18/h1-2,9H,3-8,10H2,(H,17,19)
InChIKeyRVLZGNQAAGWJGQ-UHFFFAOYSA-N
MW300.76 g/mol
LogP1.56
Rot. Bonds5

About 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide

2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide (PubChem CID 146106565) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide
PubChem CID146106565
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide
SMILESO=C(CCl)NCCc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C14H18ClFN2O2/c15-10-14(19)17-4-3-11-1-2-13(12(16)9-11)18-5-7-20-8-6-18/h1-2,9H,3-8,10H2,(H,17,19)
InChIKeyRVLZGNQAAGWJGQ-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
1-[2-(4-chlorophenyl)ethyl]-3-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111196791
2-(aminomethyl)-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 167977735
O-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]hydroxylamine
CID 117353426
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 145192081
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111362835
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 87037648
trans-(1S,2S)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124698857

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide (CID 146106565) is 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide is O=C(CCl)NCCc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide?
The InChIKey is RVLZGNQAAGWJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c15-10-14(19)17-4-3-11-1-2-13(12(16)9-11)18-5-7-20-8-6-18/h1-2,9H,3-8,10H2,(H,17,19).
What are the key properties of 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide?
2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide has a molecular weight of 300.76 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 146106565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).