1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

C15H21ClF2N2O — CID 119278393

IUPAC1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(Cc1ccc(F)cc1F)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-19(10-11-5-6-12(16)9-13(11)17)14(20)15(18)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,10,18H2,1H3;1H
InChIKeyBNYJBNXUPDTSFU-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.01
Rot. Bonds3

About 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119278393) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.79 g/mol. Its IUPAC name is 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119278393
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.79 g/mol
Exact Mass318.13
IUPAC Name1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(Cc1ccc(F)cc1F)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-19(10-11-5-6-12(16)9-13(11)17)14(20)15(18)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,10,18H2,1H3;1H
InChIKeyBNYJBNXUPDTSFU-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 86779775
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119702993
1-amino-N-[(2,4-dimethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119267645
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CID 116598534
N-[(2,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128461
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 81172216
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020
1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60963653
1-amino-N-(4-fluorophenyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119292825

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 119278393) is 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is CN(Cc1ccc(F)cc1F)C(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is BNYJBNXUPDTSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O.ClH/c1-19(10-11-5-6-12(16)9-13(11)17)14(20)15(18)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,10,18H2,1H3;1H.
What are the key properties of 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 318.79 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119278393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).