N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide

C13H16ClFN2O2 — CID 77082307

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O2/c14-11-3-1-2-9(13(11)15)7-17-12(18)6-10-8-16-4-5-19-10/h1-3,10,16H,4-8H2,(H,17,18)
InChIKeyFCJVZMVLVZKZOM-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.47
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide

N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide (PubChem CID 77082307) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide
PubChem CID77082307
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O2/c14-11-3-1-2-9(13(11)15)7-17-12(18)6-10-8-16-4-5-19-10/h1-3,10,16H,4-8H2,(H,17,18)
InChIKeyFCJVZMVLVZKZOM-UHFFFAOYSA-N
XLogP1.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 114332328
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-[(2R)-morpholin-2-yl]acetamide
CID 125163130
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-morpholin-2-ylacetamide
CID 118763783
N-(3-chloro-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119671783
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125174979
N-[(3-fluoro-4-methylphenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697510
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-2-ylacetamide
CID 106047283
N-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 113266175
2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701228
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
2-morpholin-2-yl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170232
N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429169

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide (CID 77082307) is N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)NCc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide?
The InChIKey is FCJVZMVLVZKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-11-3-1-2-9(13(11)15)7-17-12(18)6-10-8-16-4-5-19-10/h1-3,10,16H,4-8H2,(H,17,18).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide?
N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide has a molecular weight of 286.73 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 77082307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).