3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide

C18H20F2N2O2 — CID 111784455

IUPAC3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H20F2N2O2/c19-16-6-4-13(10-17(16)20)5-7-18(24)22-11-14(12-23)9-15-3-1-2-8-21-15/h1-4,6,8,10,14,23H,5,7,9,11-12H2,(H,22,24)
InChIKeyMQVNWSGYLQNNOK-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.26
Rot. Bonds8

About 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide

3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide (PubChem CID 111784455) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
PubChem CID111784455
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H20F2N2O2/c19-16-6-4-13(10-17(16)20)5-7-18(24)22-11-14(12-23)9-15-3-1-2-8-21-15/h1-4,6,8,10,14,23H,5,7,9,11-12H2,(H,22,24)
InChIKeyMQVNWSGYLQNNOK-UHFFFAOYSA-N
XLogP2.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793440
3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide
CID 111102768
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784605
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 97080119
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111840646
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436
N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide
CID 122158661

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide (CID 111784455) is 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide is O=C(CCc1ccc(F)c(F)c1)NCC(CO)Cc1ccccn1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
The InChIKey is MQVNWSGYLQNNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-16-6-4-13(10-17(16)20)5-7-18(24)22-11-14(12-23)9-15-3-1-2-8-21-15/h1-4,6,8,10,14,23H,5,7,9,11-12H2,(H,22,24).
What are the key properties of 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide has a molecular weight of 334.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide is sourced from PubChem (CID 111784455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).