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

C12H14F2N2O — CID 115161523

IUPAC3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCc2ccc(F)cc2F)C1
InChIInChI=1S/C12H14F2N2O/c13-9-2-1-7(11(14)5-9)6-16-12(17)8-3-10(15)4-8/h1-2,5,8,10H,3-4,6,15H2,(H,16,17)
InChIKeyUIBSYJAPZCGZBP-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.32
Rot. Bonds3

About 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide

3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115161523) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115161523
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCc2ccc(F)cc2F)C1
InChIInChI=1S/C12H14F2N2O/c13-9-2-1-7(11(14)5-9)6-16-12(17)8-3-10(15)4-8/h1-2,5,8,10H,3-4,6,15H2,(H,16,17)
InChIKeyUIBSYJAPZCGZBP-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112735331
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
(2S,5R)-5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786007
(1S,3R,4R)-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-[(2-morpholin-4-ylacetyl)amino]cyclopentane-1-carboxamide
CID 157011896
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
CID 115178001

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide (CID 115161523) is 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide is NC1CC(C(=O)NCc2ccc(F)cc2F)C1.
What is the InChIKey of 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is UIBSYJAPZCGZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-2-1-7(11(14)5-9)6-16-12(17)8-3-10(15)4-8/h1-2,5,8,10H,3-4,6,15H2,(H,16,17).
What are the key properties of 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide?
3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).