N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide

C13H16ClFN2O2 — CID 130299984

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
SMILESO=C(CN[C@H]1CCOC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O2/c14-11-3-1-2-9(13(11)15)6-17-12(18)7-16-10-4-5-19-8-10/h1-3,10,16H,4-8H2,(H,17,18)/t10-/m0/s1
InChIKeyNPIUONLNJUVASJ-JTQLQIEISA-N
MW286.73 g/mol
LogP1.47
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide

N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide (PubChem CID 130299984) 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-[[(3S)-oxolan-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
PubChem CID130299984
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
SMILESO=C(CN[C@H]1CCOC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O2/c14-11-3-1-2-9(13(11)15)6-17-12(18)7-16-10-4-5-19-8-10/h1-3,10,16H,4-8H2,(H,17,18)/t10-/m0/s1
InChIKeyNPIUONLNJUVASJ-JTQLQIEISA-N
XLogP1.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine
CID 114487622
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide
CID 130299585
N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide
CID 43627352
N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide
CID 166957676
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 82802592
N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide
CID 77082307
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
N-[(3-chloro-2-fluorophenyl)methyl]pentanamide
CID 156569845

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide (CID 130299984) is N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide is O=C(CN[C@H]1CCOC1)NCc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide?
The InChIKey is NPIUONLNJUVASJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-11-3-1-2-9(13(11)15)6-17-12(18)7-16-10-4-5-19-8-10/h1-3,10,16H,4-8H2,(H,17,18)/t10-/m0/s1.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide?
N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide has a molecular weight of 286.73 g/mol, XLogP of 1.47, 5 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-[[(3S)-oxolan-3-yl]amino]acetamide is sourced from PubChem (CID 130299984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).