1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide

C17H23F3N2O — CID 119341574

IUPAC1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
SMILESCC(CCNC(=O)C1(N)CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-12(13-5-4-6-14(11-13)17(18,19)20)7-10-22-15(23)16(21)8-2-3-9-16/h4-6,11-12H,2-3,7-10,21H2,1H3,(H,22,23)
InChIKeyKCCCQIVKYLDNQX-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.59
Rot. Bonds5

About 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide

1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide (PubChem CID 119341574) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
PubChem CID119341574
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
SMILESCC(CCNC(=O)C1(N)CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-12(13-5-4-6-14(11-13)17(18,19)20)7-10-22-15(23)16(21)8-2-3-9-16/h4-6,11-12H,2-3,7-10,21H2,1H3,(H,22,23)
InChIKeyKCCCQIVKYLDNQX-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
1-(3-hydroxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]butyl]urea
CID 111542860
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119814967
1-amino-N-[3-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylbutyl]cyclobutane-1-carboxamide
CID 90101230
2-methyl-1-propan-2-yl-3-[3-[3-(trifluoromethyl)phenyl]butyl]guanidine
CID 111834603
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide
CID 96521769
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 119686311
N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]-2H-triazole-4-carboxamide
CID 96521766
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]amino]propanoic acid
CID 122004723
1-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004719

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide (CID 119341574) is 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide is CC(CCNC(=O)C1(N)CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide?
The InChIKey is KCCCQIVKYLDNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-12(13-5-4-6-14(11-13)17(18,19)20)7-10-22-15(23)16(21)8-2-3-9-16/h4-6,11-12H,2-3,7-10,21H2,1H3,(H,22,23).
What are the key properties of 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide?
1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119341574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).