N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide

C13H14ClF3N2O2 — CID 66267349

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O2/c1-18-11-6-21-5-8(11)12(20)19-7-2-3-10(14)9(4-7)13(15,16)17/h2-4,8,11,18H,5-6H2,1H3,(H,19,20)
InChIKeyMJOWJNNGBYUMSL-UHFFFAOYSA-N
MW322.71 g/mol
LogP2.53
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267349) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267349
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O2/c1-18-11-6-21-5-8(11)12(20)19-7-2-3-10(14)9(4-7)13(15,16)17/h2-4,8,11,18H,5-6H2,1H3,(H,19,20)
InChIKeyMJOWJNNGBYUMSL-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267430
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 81198677
N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265960
2-N-butyl-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131383
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265600
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62834505
N-[4-chloro-3-(trifluoromethyl)phenyl]-9H-xanthene-9-carboxamide
CID 3949340
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide (CID 66267349) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is MJOWJNNGBYUMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c1-18-11-6-21-5-8(11)12(20)19-7-2-3-10(14)9(4-7)13(15,16)17/h2-4,8,11,18H,5-6H2,1H3,(H,19,20).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 322.71 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).