N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide

C16H15ClFNO2 — CID 102885176

IUPACN-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(Cl)c2ccccc2)c(F)c1
InChIInChI=1S/C16H15ClFNO2/c1-21-12-7-8-13(15(18)9-12)16(20)19-10-14(17)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3,(H,19,20)
InChIKeyIPQSDEZPSJRQIH-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.54
Rot. Bonds5

About N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide

N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide (PubChem CID 102885176) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
PubChem CID102885176
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(Cl)c2ccccc2)c(F)c1
InChIInChI=1S/C16H15ClFNO2/c1-21-12-7-8-13(15(18)9-12)16(20)19-10-14(17)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3,(H,19,20)
InChIKeyIPQSDEZPSJRQIH-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114296047
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide (CID 102885176) is N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC(Cl)c2ccccc2)c(F)c1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is IPQSDEZPSJRQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-21-12-7-8-13(15(18)9-12)16(20)19-10-14(17)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide?
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 307.75 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102885176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).