N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide

C12H16F2N2O — CID 121021883

IUPACN-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2O/c13-12(14)5-3-10(4-6-12)15-11(17)9-16-7-1-2-8-16/h1-2,7-8,10H,3-6,9H2,(H,15,17)
InChIKeyURUFXWMAOKVDSW-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.18
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide

N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide (PubChem CID 121021883) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide
PubChem CID121021883
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2O/c13-12(14)5-3-10(4-6-12)15-11(17)9-16-7-1-2-8-16/h1-2,7-8,10H,3-6,9H2,(H,15,17)
InChIKeyURUFXWMAOKVDSW-UHFFFAOYSA-N
XLogP2.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide 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

4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide
CID 146123613
N-(4,4-difluorocyclohexyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 171662917
N-(4,4-difluorocyclohexyl)butanamide
CID 131166223
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
CID 91626407
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
CID 130609514
1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 70943935
N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 121194081
N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide
CID 119104686
N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410043
N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide
CID 113384212
N-cyclopropyl-3-(pyrrol-1-ylamino)propanamide
CID 79100717

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide (CID 121021883) is N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide?
The InChIKey is URUFXWMAOKVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-12(14)5-3-10(4-6-12)15-11(17)9-16-7-1-2-8-16/h1-2,7-8,10H,3-6,9H2,(H,15,17).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide?
N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide has a molecular weight of 242.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 121021883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).