1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide

C15H19F3N2O — CID 119337924

IUPAC1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)10-7-11-3-5-12(6-4-11)20-13(21)14(19)8-1-2-9-14/h3-6H,1-2,7-10,19H2,(H,20,21)
InChIKeyZIBXSTNDCIDNMB-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.39
Rot. Bonds4

About 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide

1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119337924) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
PubChem CID119337924
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)10-7-11-3-5-12(6-4-11)20-13(21)14(19)8-1-2-9-14/h3-6H,1-2,7-10,19H2,(H,20,21)
InChIKeyZIBXSTNDCIDNMB-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
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CID 113397756
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
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1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
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CID 119307278
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
1-amino-N-[4-(methanesulfonamidomethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119328489
1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329926
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
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CID 119262760

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide (CID 119337924) is 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide is NC1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCCC1.
What is the InChIKey of 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is ZIBXSTNDCIDNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)10-7-11-3-5-12(6-4-11)20-13(21)14(19)8-1-2-9-14/h3-6H,1-2,7-10,19H2,(H,20,21).
What are the key properties of 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide?
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119337924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).