3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride

C13H16ClF3N2O — CID 119707997

IUPAC3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C13H15F3N2O.ClH/c14-10-5-9(6-11(15)12(10)16)18-13(19)7-2-1-3-8(17)4-7;/h5-8H,1-4,17H2,(H,18,19);1H
InChIKeyUWJONTYIGRPQSK-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.98
Rot. Bonds2

About 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119707997) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119707997
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C13H15F3N2O.ClH/c14-10-5-9(6-11(15)12(10)16)18-13(19)7-2-1-3-8(17)4-7;/h5-8H,1-4,17H2,(H,18,19);1H
InChIKeyUWJONTYIGRPQSK-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119725618
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119764593
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119707997) is 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is UWJONTYIGRPQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O.ClH/c14-10-5-9(6-11(15)12(10)16)18-13(19)7-2-1-3-8(17)4-7;/h5-8H,1-4,17H2,(H,18,19);1H.
What are the key properties of 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 308.73 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119707997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).