N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide

C12H14ClFN2O2 — CID 66266165

IUPACN-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O2/c1-15-10-6-18-5-7(10)12(17)16-9-4-2-3-8(13)11(9)14/h2-4,7,10,15H,5-6H2,1H3,(H,16,17)
InChIKeyUMSVNBDGVLNPHV-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.65
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide

N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266165) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266165
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2O2/c1-15-10-6-18-5-7(10)12(17)16-9-4-2-3-8(13)11(9)14/h2-4,7,10,15H,5-6H2,1H3,(H,16,17)
InChIKeyUMSVNBDGVLNPHV-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 114252133
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide
CID 66266779
(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561275
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349
2,4-difluoro-5-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66265190
N-(2-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 82016739
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 81198677
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide (CID 66266165) is N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is UMSVNBDGVLNPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c1-15-10-6-18-5-7(10)12(17)16-9-4-2-3-8(13)11(9)14/h2-4,7,10,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(3-chloro-2-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 272.71 g/mol, XLogP of 1.65, 3 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)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).