N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide

C13H12F2N2O — CID 110688754

IUPACN-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O/c14-11-4-3-10(9-12(11)15)16-13(18)5-8-17-6-1-2-7-17/h1-4,6-7,9H,5,8H2,(H,16,18)
InChIKeyXGHRUMAIJKHVJQ-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.80
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide

N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 110688754) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
PubChem CID110688754
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC NameN-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O/c14-11-4-3-10(9-12(11)15)16-13(18)5-8-17-6-1-2-7-17/h1-4,6-7,9H,5,8H2,(H,16,18)
InChIKeyXGHRUMAIJKHVJQ-UHFFFAOYSA-N
XLogP2.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
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3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide
CID 46343165
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide (CID 110688754) is N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide is O=C(CCn1cccc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is XGHRUMAIJKHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-11-4-3-10(9-12(11)15)16-13(18)5-8-17-6-1-2-7-17/h1-4,6-7,9H,5,8H2,(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide?
N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 250.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 110688754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).