3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide

C18H19ClFN3O — CID 99875625

IUPAC3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide
SMILESO=C(CCc1ccc(F)c(Cl)c1)N[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C18H19ClFN3O/c19-15-11-13(4-6-16(15)20)5-7-18(24)22-14-8-10-23(12-14)17-3-1-2-9-21-17/h1-4,6,9,11,14H,5,7-8,10,12H2,(H,22,24)/t14-/m0/s1
InChIKeyVTIKWAOPPQISHD-AWEZNQCLSA-N
MW347.82 g/mol
LogP3.20
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide

3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide (PubChem CID 99875625) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide
PubChem CID99875625
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide
SMILESO=C(CCc1ccc(F)c(Cl)c1)N[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C18H19ClFN3O/c19-15-11-13(4-6-16(15)20)5-7-18(24)22-14-8-10-23(12-14)17-3-1-2-9-21-17/h1-4,6,9,11,14H,5,7-8,10,12H2,(H,22,24)/t14-/m0/s1
InChIKeyVTIKWAOPPQISHD-AWEZNQCLSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621306
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621291
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
2-(4-chloropyrazol-1-yl)-N-(1-pyridin-2-ylpiperidin-3-yl)acetamide
CID 110107073
6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide
CID 90621313
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide
CID 125013076
3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621287
(E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide
CID 90621335
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide (CID 99875625) is 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide is O=C(CCc1ccc(F)c(Cl)c1)N[C@H]1CCN(c2ccccn2)C1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide?
The InChIKey is VTIKWAOPPQISHD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-15-11-13(4-6-16(15)20)5-7-18(24)22-14-8-10-23(12-14)17-3-1-2-9-21-17/h1-4,6,9,11,14H,5,7-8,10,12H2,(H,22,24)/t14-/m0/s1.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide?
3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide has a molecular weight of 347.82 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 99875625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).