N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C17H21F3N2O — CID 119566596

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(NC(=O)C2CC2c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)12-5-3-4-11(8-12)13-9-14(13)15(23)22-16(10-21)6-1-2-7-16/h3-5,8,13-14H,1-2,6-7,9-10,21H2,(H,22,23)
InChIKeyKXHRLJNLBWOXKB-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.20
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 119566596) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID119566596
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(NC(=O)C2CC2c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)12-5-3-4-11(8-12)13-9-14(13)15(23)22-16(10-21)6-1-2-7-16/h3-5,8,13-14H,1-2,6-7,9-10,21H2,(H,22,23)
InChIKeyKXHRLJNLBWOXKB-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 86813826
N-[1-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 119565151
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119568012
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
N-[3-(hydroxymethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111116064
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96523459
3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119129363
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119566231
(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 119360146
cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95620997

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 119566596) is N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is NCC1(NC(=O)C2CC2c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is KXHRLJNLBWOXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c18-17(19,20)12-5-3-4-11(8-12)13-9-14(13)15(23)22-16(10-21)6-1-2-7-16/h3-5,8,13-14H,1-2,6-7,9-10,21H2,(H,22,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119566596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).