3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide

C14H16ClF3N2O2 — CID 119785468

IUPAC3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1
InChIInChI=1S/C14H16ClF3N2O2/c15-9-2-4-11(12(6-9)22-7-14(16,17)18)20-13(21)8-1-3-10(19)5-8/h2,4,6,8,10H,1,3,5,7,19H2,(H,20,21)
InChIKeyCNKMTQDFPIEGCM-UHFFFAOYSA-N
MW336.74 g/mol
LogP3.35
Rot. Bonds4

About 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide

3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 119785468) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID119785468
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC Name3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1
InChIInChI=1S/C14H16ClF3N2O2/c15-9-2-4-11(12(6-9)22-7-14(16,17)18)20-13(21)8-1-3-10(19)5-8/h2,4,6,8,10H,1,3,5,7,19H2,(H,20,21)
InChIKeyCNKMTQDFPIEGCM-UHFFFAOYSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119785467
4-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673647
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119702540
3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119794829
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
2-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119324701
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 66033051
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609
(3S)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 97010781

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide (CID 119785468) is 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1.
What is the InChIKey of 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is CNKMTQDFPIEGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c15-9-2-4-11(12(6-9)22-7-14(16,17)18)20-13(21)8-1-3-10(19)5-8/h2,4,6,8,10H,1,3,5,7,19H2,(H,20,21).
What are the key properties of 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 336.74 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119785468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).