N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C18H18F4N2O2 — CID 125176787

IUPACN-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1ccccc1[C@H](NC(=O)COCC(F)(F)C(F)F)c1ccncc1
InChIInChI=1S/C18H18F4N2O2/c1-12-4-2-3-5-14(12)16(13-6-8-23-9-7-13)24-15(25)10-26-11-18(21,22)17(19)20/h2-9,16-17H,10-11H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyOPGPYWFSMWETSI-MRXNPFEDSA-N
MW370.35 g/mol
LogP3.51
Rot. Bonds8

About N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 125176787) has the molecular formula C18H18F4N2O2 and a molecular weight of 370.35 g/mol. Its IUPAC name is N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID125176787
Molecular FormulaC18H18F4N2O2
Molecular Weight370.35 g/mol
Exact Mass370.13
IUPAC NameN-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1ccccc1[C@H](NC(=O)COCC(F)(F)C(F)F)c1ccncc1
InChIInChI=1S/C18H18F4N2O2/c1-12-4-2-3-5-14(12)16(13-6-8-23-9-7-13)24-15(25)10-26-11-18(21,22)17(19)20/h2-9,16-17H,10-11H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyOPGPYWFSMWETSI-MRXNPFEDSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2,2-dimethyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]propanamide
CID 118784920
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 126423419
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118789936
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 77095713
N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915357
1-(2-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473795
2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide
CID 95150141
2-(4-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 38020716
2-(2-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632217
2-(4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683311
5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 50976747

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 125176787) is N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is Cc1ccccc1[C@H](NC(=O)COCC(F)(F)C(F)F)c1ccncc1.
What is the InChIKey of N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is OPGPYWFSMWETSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18F4N2O2/c1-12-4-2-3-5-14(12)16(13-6-8-23-9-7-13)24-15(25)10-26-11-18(21,22)17(19)20/h2-9,16-17H,10-11H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 370.35 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 125176787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).