1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide

C12H14F2N2O — CID 115182616

IUPAC1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CN)CC1)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-16(11(17)12(7-15)4-5-12)10-3-2-8(13)6-9(10)14/h2-3,6H,4-5,7,15H2,1H3
InChIKeyQWXLUWANPJCYDE-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.67
Rot. Bonds3

About 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115182616) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID115182616
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CN)CC1)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-16(11(17)12(7-15)4-5-12)10-3-2-8(13)6-9(10)14/h2-3,6H,4-5,7,15H2,1H3
InChIKeyQWXLUWANPJCYDE-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184003
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
CID 115153564
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600
methyl N-(2,4-difluorophenyl)-N-methylcarbamate
CID 67276002
1-(aminomethyl)-N-(5-ethyl-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182612
1-(aminomethyl)-N-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80587931
4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide
CID 115150554
1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide
CID 115183508
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide
CID 80588473

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 115182616) is 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(CN)CC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is QWXLUWANPJCYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-16(11(17)12(7-15)4-5-12)10-3-2-8(13)6-9(10)14/h2-3,6H,4-5,7,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115182616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).