3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide

C12H14F2N2O — CID 115161514

IUPAC3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCc2cc(F)ccc2F)C1
InChIInChI=1S/C12H14F2N2O/c13-9-1-2-11(14)8(3-9)6-16-12(17)7-4-10(15)5-7/h1-3,7,10H,4-6,15H2,(H,16,17)
InChIKeyMTBQLNDANDTRGI-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.32
Rot. Bonds3

About 3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide

3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115161514) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115161514
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCc2cc(F)ccc2F)C1
InChIInChI=1S/C12H14F2N2O/c13-9-1-2-11(14)8(3-9)6-16-12(17)7-4-10(15)5-7/h1-3,7,10H,4-6,15H2,(H,16,17)
InChIKeyMTBQLNDANDTRGI-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-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823086
N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78942020
2-[(2,5-difluorophenyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391019
9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991618
cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978789
3-[(2,5-difluorophenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 119121716
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide (CID 115161514) is 3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide is NC1CC(C(=O)NCc2cc(F)ccc2F)C1.
What is the InChIKey of 3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is MTBQLNDANDTRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-1-2-11(14)8(3-9)6-16-12(17)7-4-10(15)5-7/h1-3,7,10H,4-6,15H2,(H,16,17).
What are the key properties of 3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide?
3-amino-N-[(2,5-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-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).