1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

C14H18F2N2O2 — CID 107479302

IUPAC1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)N(CCO)CC(F)F)CC2)cc1
InChIInChI=1S/C14H18F2N2O2/c15-12(16)9-18(7-8-19)13(20)14(5-6-14)10-1-3-11(17)4-2-10/h1-4,12,19H,5-9,17H2
InChIKeyFLOLSCOKTKVSHI-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.39
Rot. Bonds6

About 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (PubChem CID 107479302) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
PubChem CID107479302
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)N(CCO)CC(F)F)CC2)cc1
InChIInChI=1S/C14H18F2N2O2/c15-12(16)9-18(7-8-19)13(20)14(5-6-14)10-1-3-11(17)4-2-10/h1-4,12,19H,5-9,17H2
InChIKeyFLOLSCOKTKVSHI-UHFFFAOYSA-N
XLogP1.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479411
1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide
CID 115913473
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 112558169
1-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 60653694
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107483376
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 107479058
4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 107479272
1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 112558429
1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107482217

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (CID 107479302) is 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)N(CCO)CC(F)F)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The InChIKey is FLOLSCOKTKVSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-12(16)9-18(7-8-19)13(20)14(5-6-14)10-1-3-11(17)4-2-10/h1-4,12,19H,5-9,17H2.
What are the key properties of 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107479302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).