2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide

C12H14F2N2O2 — CID 156724336

IUPAC2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide
SMILESCOc1c(F)ccc(C2(NCC(N)=O)CC2)c1F
InChIInChI=1S/C12H14F2N2O2/c1-18-11-8(13)3-2-7(10(11)14)12(4-5-12)16-6-9(15)17/h2-3,16H,4-6H2,1H3,(H2,15,17)
InChIKeyLSZWEKWSSVTCLZ-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.04
Rot. Bonds5

About 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide

2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide (PubChem CID 156724336) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide.

Molecular Properties

Compound Name2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide
PubChem CID156724336
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide
SMILESCOc1c(F)ccc(C2(NCC(N)=O)CC2)c1F
InChIInChI=1S/C12H14F2N2O2/c1-18-11-8(13)3-2-7(10(11)14)12(4-5-12)16-6-9(15)17/h2-3,16H,4-6H2,1H3,(H2,15,17)
InChIKeyLSZWEKWSSVTCLZ-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
CID 156724318
methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate
CID 110477797
1-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117428788
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide
CID 126839183
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558
ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
CID 110479350
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide?
The IUPAC name of 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide (CID 156724336) is 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide.
What is the SMILES notation for 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide?
The canonical SMILES for 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide is COc1c(F)ccc(C2(NCC(N)=O)CC2)c1F.
What is the InChIKey of 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide?
The InChIKey is LSZWEKWSSVTCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-18-11-8(13)3-2-7(10(11)14)12(4-5-12)16-6-9(15)17/h2-3,16H,4-6H2,1H3,(H2,15,17).
What are the key properties of 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide?
2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide has a molecular weight of 256.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-difluoro-3-methoxyphenyl)cyclopropyl]amino]acetamide is sourced from PubChem (CID 156724336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).