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

C14H18F2N2O — CID 115183711

IUPACN-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
SMILESCNCC1(C(=O)NCc2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H18F2N2O/c1-17-9-14(5-2-6-14)13(19)18-8-10-3-4-11(15)7-12(10)16/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyJYRAPQXCGQHPHI-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.97
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide (PubChem CID 115183711) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
PubChem CID115183711
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
SMILESCNCC1(C(=O)NCc2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H18F2N2O/c1-17-9-14(5-2-6-14)13(19)18-8-10-3-4-11(15)7-12(10)16/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyJYRAPQXCGQHPHI-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503
2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide
CID 115271494
1-[[(2,4-difluorophenyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451560
3-cyano-N-[(2,4-difluorophenyl)methyl]oxetane-3-carboxamide
CID 115184714
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
1-(aminomethyl)-N-[(2-bromo-5-fluorophenyl)methyl]cycloheptane-1-carboxamide
CID 115443918
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999171
(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921363
2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide
CID 62228150
1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921717

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide (CID 115183711) is N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide is CNCC1(C(=O)NCc2ccc(F)cc2F)CCC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide?
The InChIKey is JYRAPQXCGQHPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-17-9-14(5-2-6-14)13(19)18-8-10-3-4-11(15)7-12(10)16/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).