N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide

C19H22ClFN2O2 — CID 144940028

IUPACN-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(F)c(OCCCC(C)C)c(Cl)c2)ccn1
InChIInChI=1S/C19H22ClFN2O2/c1-12(2)5-4-8-25-19-16(20)9-15(10-17(19)21)14-6-7-22-18(11-14)23-13(3)24/h6-7,9-12H,4-5,8H2,1-3H3,(H,22,23,24)
InChIKeySSKRCCDIBVXCMV-UHFFFAOYSA-N
MW364.85 g/mol
LogP5.31
Rot. Bonds7

About N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide

N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide (PubChem CID 144940028) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide
PubChem CID144940028
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC NameN-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(F)c(OCCCC(C)C)c(Cl)c2)ccn1
InChIInChI=1S/C19H22ClFN2O2/c1-12(2)5-4-8-25-19-16(20)9-15(10-17(19)21)14-6-7-22-18(11-14)23-13(3)24/h6-7,9-12H,4-5,8H2,1-3H3,(H,22,23,24)
InChIKeySSKRCCDIBVXCMV-UHFFFAOYSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.85
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea
CID 468174
3-[2-(6-Chloro-3-ethoxy-2-fluorophenyl)cyclopropyl]-1-(5-chloropyridin-2-yl)urea
CID 468176
1-(5-Bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]urea
CID 469204
Thiourea, N-(2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl)-N'-(5-chloro-2-pyridinyl)-
CID 3001081
US10155760, Example 23
CID 118419711
US10155760, Example 19
CID 118419969
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US9902722, Example 8
CID 118420290
US10155760, Example 1
CID 118420330
US10155760, Example 5
CID 118420335
US9902722, Example 7
CID 118429852

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide (CID 144940028) is N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(F)c(OCCCC(C)C)c(Cl)c2)ccn1.
What is the InChIKey of N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide?
The InChIKey is SSKRCCDIBVXCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-12(2)5-4-8-25-19-16(20)9-15(10-17(19)21)14-6-7-22-18(11-14)23-13(3)24/h6-7,9-12H,4-5,8H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide?
N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide has a molecular weight of 364.85 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-5-fluoro-4-(4-methylpentoxy)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 144940028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).