1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide

C14H18F2N2O — CID 62228717

IUPAC1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-5-4-10(12(16)8-11)9-18-13(19)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyBWXDXPALXQDHEG-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.24
Rot. Bonds3

About 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide

1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 62228717) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID62228717
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-5-4-10(12(16)8-11)9-18-13(19)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyBWXDXPALXQDHEG-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
CID 119404549
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183711
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119278393
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
1-(aminomethyl)-N-[(2-bromo-5-fluorophenyl)methyl]cycloheptane-1-carboxamide
CID 115443918
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide (CID 62228717) is 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide is NC1(C(=O)NCc2ccc(F)cc2F)CCCCC1.
What is the InChIKey of 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is BWXDXPALXQDHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-5-4-10(12(16)8-11)9-18-13(19)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19).
What are the key properties of 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide?
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62228717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).