N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide

C16H15ClFNO2 — CID 114295738

IUPACN-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(Cl)c1ccccc1
InChIInChI=1S/C16H15ClFNO2/c1-21-14-9-5-8-13(18)15(14)16(20)19-10-12(17)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H,19,20)
InChIKeyQGYXSNGYDUYHHR-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.54
Rot. Bonds5

About N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide

N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide (PubChem CID 114295738) 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-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
PubChem CID114295738
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(Cl)c1ccccc1
InChIInChI=1S/C16H15ClFNO2/c1-21-14-9-5-8-13(18)15(14)16(20)19-10-12(17)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H,19,20)
InChIKeyQGYXSNGYDUYHHR-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-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
CID 113496506
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150
2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90597986
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114296047

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide (CID 114295738) is N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCC(Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is QGYXSNGYDUYHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-21-14-9-5-8-13(18)15(14)16(20)19-10-12(17)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide?
N-(2-chloro-2-phenylethyl)-2-fluoro-6-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-6-methoxybenzamide is sourced from PubChem (CID 114295738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).