4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide

C13H12ClF3N2O — CID 116699756

IUPAC4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H12ClF3N2O/c14-9-4-8(13(15,16)17)5-11(6-9)19-12(20)7-1-2-10(18)3-7/h1-2,4-7,10H,3,18H2,(H,19,20)
InChIKeyDUHLFIDVEAMAAP-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.20
Rot. Bonds2

About 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide (PubChem CID 116699756) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
PubChem CID116699756
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H12ClF3N2O/c14-9-4-8(13(15,16)17)5-11(6-9)19-12(20)7-1-2-10(18)3-7/h1-2,4-7,10H,3,18H2,(H,19,20)
InChIKeyDUHLFIDVEAMAAP-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 116699700
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79207710
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210585
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 116699316
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 116700756
4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 114263126
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide
CID 116699685
5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116698761

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide (CID 116699756) is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is DUHLFIDVEAMAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c14-9-4-8(13(15,16)17)5-11(6-9)19-12(20)7-1-2-10(18)3-7/h1-2,4-7,10H,3,18H2,(H,19,20).
What are the key properties of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 304.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 116699756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).