1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide

C14H18F2N2O — CID 80599154

IUPAC1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2N2O/c1-9-5-14(6-9,8-17)13(19)18-7-10-4-11(15)2-3-12(10)16/h2-4,9H,5-8,17H2,1H3,(H,18,19)
InChIKeyNGXBVBXCEGQBGF-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.96
Rot. Bonds4

About 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80599154) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80599154
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2N2O/c1-9-5-14(6-9,8-17)13(19)18-7-10-4-11(15)2-3-12(10)16/h2-4,9H,5-8,17H2,1H3,(H,18,19)
InChIKeyNGXBVBXCEGQBGF-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
2-[(2,5-difluorophenyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391019
1-(aminomethyl)-N-[(2-bromo-5-fluorophenyl)methyl]cycloheptane-1-carboxamide
CID 115443918
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911
1-(aminomethyl)-3-methyl-N-(quinolin-8-ylmethyl)cyclobutane-1-carboxamide
CID 81428680
2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793376
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
N-[(2,5-difluorophenyl)methyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80594714
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116604069
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
1-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587906

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide (CID 80599154) is 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NCc2cc(F)ccc2F)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is NGXBVBXCEGQBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-5-14(6-9,8-17)13(19)18-7-10-4-11(15)2-3-12(10)16/h2-4,9H,5-8,17H2,1H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80599154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).