1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide

C12H14F2N2O — CID 115189941

IUPAC1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCc2cc(F)ccc2F)CC1
InChIInChI=1S/C12H14F2N2O/c13-9-1-2-10(14)8(7-9)3-6-16-11(17)12(15)4-5-12/h1-2,7H,3-6,15H2,(H,16,17)
InChIKeyZRRVUSKTPQSANY-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.11
Rot. Bonds4

About 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115189941) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115189941
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCc2cc(F)ccc2F)CC1
InChIInChI=1S/C12H14F2N2O/c13-9-1-2-10(14)8(7-9)3-6-16-11(17)12(15)4-5-12/h1-2,7H,3-6,15H2,(H,16,17)
InChIKeyZRRVUSKTPQSANY-UHFFFAOYSA-N
XLogP1.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
2-(2,5-difluorophenyl)ethylurea
CID 115168493
1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115183365
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide (CID 115189941) is 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCc2cc(F)ccc2F)CC1.
What is the InChIKey of 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is ZRRVUSKTPQSANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-1-2-10(14)8(7-9)3-6-16-11(17)12(15)4-5-12/h1-2,7H,3-6,15H2,(H,16,17).
What are the key properties of 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115189941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).