1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide

C12H14F2N2O2 — CID 83316158

IUPAC1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C12H14F2N2O2/c13-11(14)18-9-3-1-2-8(6-9)7-16-10(17)12(15)4-5-12/h1-3,6,11H,4-5,7,15H2,(H,16,17)
InChIKeyAZMGQUVGRZFZTG-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.40
Rot. Bonds5

About 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 83316158) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID83316158
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C12H14F2N2O2/c13-11(14)18-9-3-1-2-8(6-9)7-16-10(17)12(15)4-5-12/h1-3,6,11H,4-5,7,15H2,(H,16,17)
InChIKeyAZMGQUVGRZFZTG-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
CID 119787093
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618724
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide (CID 83316158) is 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide is NC1(C(=O)NCc2cccc(OC(F)F)c2)CC1.
What is the InChIKey of 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is AZMGQUVGRZFZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-11(14)18-9-3-1-2-8(6-9)7-16-10(17)12(15)4-5-12/h1-3,6,11H,4-5,7,15H2,(H,16,17).
What are the key properties of 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 256.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 83316158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).