4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide

C13H14ClF3N2O2 — CID 116699685

IUPAC4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)COCC1N
InChIInChI=1S/C13H14ClF3N2O2/c1-12(6-21-5-10(12)18)11(20)19-9-3-7(13(15,16)17)2-8(14)4-9/h2-4,10H,5-6,18H2,1H3,(H,19,20)
InChIKeyYFWAGCYGSSEZDF-UHFFFAOYSA-N
MW322.71 g/mol
LogP2.66
Rot. Bonds2

About 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide

4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide (PubChem CID 116699685) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide
PubChem CID116699685
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)COCC1N
InChIInChI=1S/C13H14ClF3N2O2/c1-12(6-21-5-10(12)18)11(20)19-9-3-7(13(15,16)17)2-8(14)4-9/h2-4,10H,5-6,18H2,1H3,(H,19,20)
InChIKeyYFWAGCYGSSEZDF-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
CID 66263329
4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
CID 66250811
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 116699700
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
CID 66248237
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 116699756
4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249432
4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 82868045

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide (CID 116699685) is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide is CC1(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)COCC1N.
What is the InChIKey of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide?
The InChIKey is YFWAGCYGSSEZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c1-12(6-21-5-10(12)18)11(20)19-9-3-7(13(15,16)17)2-8(14)4-9/h2-4,10H,5-6,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide has a molecular weight of 322.71 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 116699685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).