N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide

C14H15F3N2O2 — CID 108933365

IUPACN-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)13(21)19-11-7-3-6-10(8-11)18-12(20)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,18,20)(H,19,21)
InChIKeyJFHJVDCBNNNMPX-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.32
Rot. Bonds3

About N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide

N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide (PubChem CID 108933365) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
PubChem CID108933365
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)13(21)19-11-7-3-6-10(8-11)18-12(20)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,18,20)(H,19,21)
InChIKeyJFHJVDCBNNNMPX-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 874898
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N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide
CID 103732512
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 62848369
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide
CID 119814665
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide (CID 108933365) is N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide is O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide?
The InChIKey is JFHJVDCBNNNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)13(21)19-11-7-3-6-10(8-11)18-12(20)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide?
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide has a molecular weight of 300.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 108933365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).