N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C16H23FN2O2 — CID 103840217

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-15(21,11-19(2)3)10-18-14(20)16(8-9-16)12-4-6-13(17)7-5-12/h4-7,21H,8-11H2,1-3H3,(H,18,20)
InChIKeyQELNDISQPFLXQO-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.29
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 103840217) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID103840217
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-15(21,11-19(2)3)10-18-14(20)16(8-9-16)12-4-6-13(17)7-5-12/h4-7,21H,8-11H2,1-3H3,(H,18,20)
InChIKeyQELNDISQPFLXQO-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
1-(4-chlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclopropane-1-carboxamide
CID 56827735
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741
3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide
CID 90605098
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 112792896
1-(4-bromophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66179470
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 103839576
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 115594402

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 103840217) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is CN(C)CC(C)(O)CNC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QELNDISQPFLXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-15(21,11-19(2)3)10-18-14(20)16(8-9-16)12-4-6-13(17)7-5-12/h4-7,21H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 103840217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).