N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide

C13H16ClFNO2P — CID 146390524

IUPACN-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(OCC2CC(F)(P)C2)c1
InChIInChI=1S/C13H16ClFNO2P/c1-8(17)16-10-2-3-11(14)12(4-10)18-7-9-5-13(15,19)6-9/h2-4,9H,5-7,19H2,1H3,(H,16,17)
InChIKeyRFBSVWGQUYIASM-UHFFFAOYSA-N
MW303.70 g/mol
LogP3.63
Rot. Bonds4

About N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide

N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide (PubChem CID 146390524) has the molecular formula C13H16ClFNO2P and a molecular weight of 303.70 g/mol. Its IUPAC name is N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide
PubChem CID146390524
Molecular FormulaC13H16ClFNO2P
Molecular Weight303.70 g/mol
Exact Mass303.06
IUPAC NameN-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(OCC2CC(F)(P)C2)c1
InChIInChI=1S/C13H16ClFNO2P/c1-8(17)16-10-2-3-11(14)12(4-10)18-7-9-5-13(15,19)6-9/h2-4,9H,5-7,19H2,1H3,(H,16,17)
InChIKeyRFBSVWGQUYIASM-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
CID 141315401
methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate
CID 141315431
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
N-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]acetamide
CID 51139075
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
2-chloro-N-[3-chloro-4-(cyclopentylmethoxy)phenyl]acetamide
CID 146657640
N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725545
N-[4-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725544
5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
CID 50957907
1-(4-chloro-3-prop-2-ynoxyphenyl)-3-methylurea
CID 118123567

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide (CID 146390524) is N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(Cl)c(OCC2CC(F)(P)C2)c1.
What is the InChIKey of N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide?
The InChIKey is RFBSVWGQUYIASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFNO2P/c1-8(17)16-10-2-3-11(14)12(4-10)18-7-9-5-13(15,19)6-9/h2-4,9H,5-7,19H2,1H3,(H,16,17).
What are the key properties of N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide?
N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide has a molecular weight of 303.70 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(3-fluoro-3-phosphanylcyclobutyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 146390524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).